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Results
Date
30 substances in Reaxys
2016-02-16 06h:57m:04s (EST)
ALK O O
1. Query O
Search as: As drawn
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Reaxys ID 181277 View in Reaxys
O
1/30 CAS Registry Number: 41232-97-7 Chemical Name: ethyl ester of the 2-methyl-3-phenyl-2,3-epoxypropionic acid; 2-methyl-3-phenyl-oxiranecarboxylic acid ethyl ester; 2.3-Epoxy-2-methyl-3-phenyl-propionsaeure-aethylester; 3-Phenyl-2-methyl-2,3-epoxy-propionsaeure-aethylester; Aethyl-α-methyl-β-phenylglycidat; 2-Methyl-3-phenyl-glycidsaeureaethylester Linear Structure Formula: C12H14O3 Molecular Formula: C12H14O3 Molecular Weight: 206.241 Type of Substance: heterocyclic InChI Key: PTJLNEHAZVPEFQ-UHFFFAOYSA-N Note:
O
O
Substance Label (6) Label References epoxide 1f
Chakraborty, Tushar K.; Ghosh, Animesh; Raju, T. Venugopal; Chemistry Letters; vol. 32; nb. 1; (2003); p. 82 - 83, View in Reaxys
VIII
Kuroyan, R. A.; Markosyan, A. I.; Engoyan, A. P.; Vartanyan, S. A.; Journal of Organic Chemistry USSR (English Translation); vol. 19; (1983); p. 1709 - 1714; Zhurnal Organicheskoi Khimii; vol. 19; nb. 9; (1983); p. 1947 - 1953, View in Reaxys
I
Bokanov, A. I.; Persianova, I. P.; Shvedov, V. I.; Journal of Organic Chemistry USSR (English Translation); (1982); p. 971 - 972; Zhurnal Organicheskoi Khimii; vol. 18; nb. 5; (1982); p. 1122 - 1123, View in Reaxys
2-Methyl-3-phenylglycidat 1
Kagan; Przybytek; Firth; Singh; Tetrahedron Letters; vol. 13; nb. 50; (1972); p. 5133 - 5136, View in Reaxys
Ic
Singh; Kagan; Journal of the American Chemical Society; vol. 91; (1969); p. 6198, View in Reaxys
20
Patent; Union Carbide Corp.; US3141027; (1959); GB863446; Chem.Abstr.; nb. 25982; (1961), View in Reaxys
Related Structure (1) References Walborsky,H.M.; Colombini,C.; Journal of Organic Chemistry; vol. 27; (1962); p. 2387 - 2390, View in Reaxys Boiling Point (3) Boiling Point [°C]
Pressure (Boiling Point) [Torr]
References
110
2
Kuroyan, R. A.; Markosyan, A. I.; Engoyan, A. P.; Vartanyan, S. A.; Journal of Organic Chemistry USSR (English Translation); vol. 19; (1983); p. 1709 - 1714; Zhurnal Organicheskoi Khimii; vol. 19; nb. 9; (1983); p. 1947 - 1953, View in Reaxys
128 - 130
5
Martynow; Below; J. Gen. Chem. USSR (Engl. Transl.); vol. 32; (1962); p. 2341,2308, View in Reaxys
121
4
Patent; Union Carbide Corp.; US3141027; (1959); GB863446; Chem.Abstr.; nb. 25982; (1961), View in Reaxys
Refractive Index (3) Refractive Index Wavelength (Refractive Index) [nm]
Temperature (Re- References fractive Index) [°C]
1.509
589
20
Kuroyan, R. A.; Markosyan, A. I.; Engoyan, A. P.; Vartanyan, S. A.; Journal of Organic Chemistry USSR (English Translation); vol. 19; (1983); p. 1709 - 1714; Zhurnal Organicheskoi Khimii; vol. 19; nb. 9; (1983); p. 1947 - 1953, View in Reaxys
1.5082
589
20
Martynow; Below; J. Gen. Chem. USSR (Engl. Transl.); vol. 32; (1962); p. 2341,2308, View in Reaxys
1.5052
589
30
Patent; Union Carbide Corp.; US3141027; (1959); GB863446; Chem.Abstr.; nb. 25982; (1961), View in Reaxys
Density (2) 1 of 2
Density [g·cm-3]
1.117
Reference Temperature [°C]
4
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Measurement Tempera- 20 ture [°C] Kuroyan, R. A.; Markosyan, A. I.; Engoyan, A. P.; Vartanyan, S. A.; Journal of Organic Chemistry USSR (English Translation); vol. 19; (1983); p. 1709 - 1714; Zhurnal Organicheskoi Khimii; vol. 19; nb. 9; (1983); p. 1947 - 1953, View in Reaxys 2 of 2
Density [g·cm-3]
1.0865
Reference Temperature [°C]
4
Measurement Tempera- 20 ture [°C] Patent; Union Carbide Corp.; US3141027; (1959); GB863446; Chem.Abstr.; nb. 25982; (1961), View in Reaxys Crystal Property Description (1) Colour & Other Location Properties orange
supporting information
References Concellon, Jose M.; Bernad, Pablo L.; Rodriguez-Solla, Humberto; Diaz, Pamela; Advanced Synthesis and Catalysis; vol. 351; nb. 13; (2009); p. 2178 - 2184, View in Reaxys
Further Information (1) Description (Fur- References ther Information) Further information
Valente; Wolfhagen; Journal of Organic Chemistry; vol. 31; (1966); p. 2509,2510,2511, View in Reaxys
NMR Spectroscopy (3) 1 of 3
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
300
Location
supporting information
Concellon, Jose M.; Bernad, Pablo L.; Rodriguez-Solla, Humberto; Diaz, Pamela; Advanced Synthesis and Catalysis; vol. 351; nb. 13; (2009); p. 2178 - 2184, View in Reaxys 2 of 3
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
75
Location
supporting information
Concellon, Jose M.; Bernad, Pablo L.; Rodriguez-Solla, Humberto; Diaz, Pamela; Advanced Synthesis and Catalysis; vol. 351; nb. 13; (2009); p. 2178 - 2184, View in Reaxys 3 of 3
Description (NMR Spec- NMR troscopy) Valente; Wolfhagen; Journal of Organic Chemistry; vol. 31; (1966); p. 2509,2510,2511, View in Reaxys; Kagan et al.; Journal of Organic Chemistry; vol. 41; (1976); p. 2355,2361, View in Reaxys
IR Spectroscopy (1) 1 of 1
Description (IR Spectroscopy)
Bands
Location
supporting information
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Comment (IR Spectroscopy)
neat liquid
Concellon, Jose M.; Bernad, Pablo L.; Rodriguez-Solla, Humberto; Diaz, Pamela; Advanced Synthesis and Catalysis; vol. 351; nb. 13; (2009); p. 2178 - 2184, View in Reaxys Mass Spectrometry (1) Description (Mass Location Spectrometry)
References
HRMS (High reso- supporting inforlution mass spec- mation trometry); Spectrum
Concellon, Jose M.; Bernad, Pablo L.; Rodriguez-Solla, Humberto; Diaz, Pamela; Advanced Synthesis and Catalysis; vol. 351; nb. 13; (2009); p. 2178 - 2184, View in Reaxys
Reaxys ID 158406 View in Reaxys
O
2/30 CAS Registry Number: 80532-66-7 Chemical Name: methyl-2-methyl-3-phenylglycidate; 2-methyl-3-phenyl-oxiranecarboxylic acid methyl ester; 2,3-epoxy-2methyl-3-phenyl-propionic acid methyl ester; 2,3-Epoxy-2-methyl-3-phenyl-propionsaeure-methylester Linear Structure Formula: C11H12O3 Molecular Formula: C11H12O3 Molecular Weight: 192.214 Type of Substance: heterocyclic InChI Key: CPPPKJUXIISPJL-UHFFFAOYSA-N Note:
O
O
Substance Label (4) Label References 8b
Zimbron, Jeremy Malcolm; Seeger-Weibel, Manuela; Hirt, Hans; Gallou, Fabrice; Synthesis; nb. 8; (2008); p. 1221 - 1226, View in Reaxys
32a methyl ester
Satoh; Kitoh; Onda; Takano; Yamakawa; Tetrahedron; vol. 50; nb. 17; (1994); p. 4957 - 4972, View in Reaxys
16
Heathcock,C.H.; Pirrung,M.C.; Young,S.D.; Journal of the American Chemical Society; vol. 106; (1984); p. 8161, View in Reaxys
Epoxyester 10; R = Me; R1 = Me
Roux-Schmitt et al.; Tetrahedron; vol. 28; (1972); p. 4965,4968, 4975, View in Reaxys
Related Structure (2) Related Structure References hlor-propionPatent; Knoll A.G.; DE702007; (1938); DRP/DRBP Org.Chem., View in Reaxys saeure-methylester, Natriumaethylat und Aethanol erhalten worden. Ein Praeparat Beilstein Handbook, View in Reaxys (Kp&11%: 136-140grad), in dem wahrscheinlich ueberwiegend (2#RS!, 3#SR!)-2,3-Epoxy-2-methyl-3phenyl-propionsaeure-methylester (C11H12O3, Formel X <X=OCH3>+Spiegelbild) vorgelegen hat, ist beim Behandeln von Ben-
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zaldehyd mit (+-)-2-C. Boiling Point (3) Boiling Point [°C]
Pressure (Boiling Point) [Torr]
References
73 - 74
0.2
Gladiani, S.; Soccolili, F.; Synthetic Communications; vol. 12; nb. 5; (1982); p. 355 - 360, View in Reaxys
85
0.1
Roux-Schmitt et al.; Tetrahedron; vol. 28; (1972); p. 4965,4968, 4975, View in Reaxys
136 - 140
11
Patent; Knoll A. G.; DE702007; (1938); DRP/DRBP Org.Chem., View in Reaxys
NMR Spectroscopy (2) 1 of 2
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- CDCl3 scopy) Satoh; Kitoh; Onda; Takano; Yamakawa; Tetrahedron; vol. 50; nb. 17; (1994); p. 4957 - 4972, View in Reaxys 2 of 2
Description (NMR Spec- NMR troscopy) Roux-Schmitt et al.; Tetrahedron; vol. 28; (1972); p. 4965,4968, 4975, View in Reaxys
IR Spectroscopy (1) 1 of 1
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
neat (no solvent)
Comment (IR Spectroscopy)
1745 cm**(-1)
Satoh; Kitoh; Onda; Takano; Yamakawa; Tetrahedron; vol. 50; nb. 17; (1994); p. 4957 - 4972, View in Reaxys Mass Spectrometry (1) Description (Mass References Spectrometry) electron impact (EI); spectrum
Satoh; Kitoh; Onda; Takano; Yamakawa; Tetrahedron; vol. 50; nb. 17; (1994); p. 4957 - 4972, View in Reaxys
Reaxys ID 13545 View in Reaxys
O
3/30 CAS Registry Number: 7042-28-6; 7141-24-4; 41232-97-7 Chemical Name: (2RS,3SR)-2,3-epoxy-2-methyl-3-phenyl-propionic acid ethyl ester; (2RS,3SR)-2,3-Epoxy-2-methyl-3-phenylpropionsaeure-aethylester; Aethyl-trans-2-methyl-3-phenylglycidat Linear Structure Formula: C12H14O3 Molecular Formula: C12H14O3 Molecular Weight: 206.241 Type of Substance: heterocyclic InChI Key: PTJLNEHAZVPEFQ-CMPLNLGQSA-N Note:
O
O racemate
Substance Label (2) Label References IIt
Alekseeva, L. M.; Bokanov, A. I.; Shvedov, V. I.; Sheinker, Yu. N.; Journal of Organic Chemistry USSR (English Translation); vol. 22; nb. 9; (1986); p. 1664 - 1666; Zhurnal Organicheskoi Khimii; vol. 22; nb. 9; (1986); p. 1854 - 1857, View in Reaxys
(trans-1a)
Kagan; Firth; Journal of Organic Chemistry; vol. 39; (1974); p. 3145, View in Reaxys
Related Structure (2)
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Related Structure
References
beschriebenen, Valente; Wolfhagen; Journal of Organic Chemistry; vol. 31; (1966); p. 2509,2510,2511, View in Reaxys aus Benzaldehyd und (+-)-2-Chlorpropionsaeureaethylester mit Hilfe von Natriumamid hergestellten Praeparat (Kp&4%: 117-121grad) vorgelegen. Diese Verbindung Blicke et al.; Journal of the American Chemical Society; vol. 76; (1954); p. 3161, View in Reaxys hat wahrscheinlich auch als Hauptbestandteil in dem im Hauptwerk (s. H 18 305) aufgefuehrten, dort als α-Methylβ-phenyl-glycidsaeure-aethylester bezeichneten Praeparat sowie in einem von. Boiling Point (4) Boiling Point [°C]
Pressure (Boiling Point) [Torr]
References
121 - 123
3
Kagan; Firth; Journal of Organic Chemistry; vol. 39; (1974); p. 3145, View in Reaxys
130
0.01
Valente; Wolfhagen; Journal of Organic Chemistry; vol. 31; (1966); p. 2509,2510,2511, View in Reaxys
117 - 121
4
MacPeek et al.; Journal of the American Chemical Society; vol. 81; (1959); p. 680,683, View in Reaxys
121
4
MacPeek et al.; Journal of the American Chemical Society; vol. 81; (1959); p. 680,683, View in Reaxys
Refractive Index (2) Refractive Index Wavelength (Refractive Index) [nm]
Temperature (Re- References fractive Index) [°C]
1.4997
589
25
Valente; Wolfhagen; Journal of Organic Chemistry; vol. 31; (1966); p. 2509,2510,2511, View in Reaxys
1.5052
589
30
MacPeek et al.; Journal of the American Chemical Society; vol. 81; (1959); p. 680,683, View in Reaxys
Density (1) 1 of 1
Density [g·cm-3]
1.0865
Measurement Tempera- 20 ture [°C] MacPeek et al.; Journal of the American Chemical Society; vol. 81; (1959); p. 680,683, View in Reaxys NMR Spectroscopy (4) 1 of 4
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- CDCl3 scopy) Alekseeva, L. M.; Bokanov, A. I.; Shvedov, V. I.; Sheinker, Yu. N.; Journal of Organic Chemistry USSR (English Translation); vol. 22; nb. 9; (1986); p. 1664 - 1666; Zhurnal Organicheskoi Khimii; vol. 22; nb. 9; (1986); p. 1854 - 1857, View in Reaxys
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2 of 4
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- CDCl3 scopy) Alekseeva, L. M.; Bokanov, A. I.; Shvedov, V. I.; Sheinker, Yu. N.; Journal of Organic Chemistry USSR (English Translation); vol. 22; nb. 9; (1986); p. 1664 - 1666; Zhurnal Organicheskoi Khimii; vol. 22; nb. 9; (1986); p. 1854 - 1857, View in Reaxys 3 of 4
Description (NMR Spec- Spin-spin coupling constants troscopy) Solvents (NMR Spectro- CDCl3 scopy) Comment (NMR Spectroscopy)
1H-13C.
Alekseeva, L. M.; Bokanov, A. I.; Shvedov, V. I.; Sheinker, Yu. N.; Journal of Organic Chemistry USSR (English Translation); vol. 22; nb. 9; (1986); p. 1664 - 1666; Zhurnal Organicheskoi Khimii; vol. 22; nb. 9; (1986); p. 1854 - 1857, View in Reaxys 4 of 4
Description (NMR Spec- NMR troscopy) Comment (NMR Spectroscopy)
1H
Kagan; Firth; Journal of Organic Chemistry; vol. 39; (1974); p. 3145, View in Reaxys
Reaxys ID 4138973 View in Reaxys
O
4/30 CAS Registry Number: 7042-28-6; 7141-24-4; 41232-97-7 Chemical Name: Aethyl-cis-2-methyl-3-phenylglycidat Linear Structure Formula: C12H14O3 Molecular Formula: C12H14O3 Molecular Weight: 206.241 Type of Substance: heterocyclic InChI Key: PTJLNEHAZVPEFQ-ZYHUDNBSSA-N Note:
O
O racemate
Substance Label (3) Label References IIc
Alekseeva, L. M.; Bokanov, A. I.; Shvedov, V. I.; Sheinker, Yu. N.; Journal of Organic Chemistry USSR (English Translation); vol. 22; nb. 9; (1986); p. 1664 - 1666; Zhurnal Organicheskoi Khimii; vol. 22; nb. 9; (1986); p. 1854 - 1857, View in Reaxys
(Z)-2-Methyl-3phenylglycidat 1
Kagan,J. et al.; Journal of Organic Chemistry; vol. 42; nb. 2; (1977); p. 343 - 344, View in Reaxys
(cis-1a)
Kagan; Firth; Journal of Organic Chemistry; vol. 39; (1974); p. 3145, View in Reaxys
Boiling Point (1) Boiling Point [°C] 97 - 99
Pressure (Boiling Point) [Torr]
References
0.5
Kagan; Firth; Journal of Organic Chemistry; vol. 39; (1974); p. 3145, View in Reaxys
NMR Spectroscopy (3) 1 of 3
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- CDCl3 scopy)
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Alekseeva, L. M.; Bokanov, A. I.; Shvedov, V. I.; Sheinker, Yu. N.; Journal of Organic Chemistry USSR (English Translation); vol. 22; nb. 9; (1986); p. 1664 - 1666; Zhurnal Organicheskoi Khimii; vol. 22; nb. 9; (1986); p. 1854 - 1857, View in Reaxys 2 of 3
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- CDCl3 scopy) Alekseeva, L. M.; Bokanov, A. I.; Shvedov, V. I.; Sheinker, Yu. N.; Journal of Organic Chemistry USSR (English Translation); vol. 22; nb. 9; (1986); p. 1664 - 1666; Zhurnal Organicheskoi Khimii; vol. 22; nb. 9; (1986); p. 1854 - 1857, View in Reaxys 3 of 3
Description (NMR Spec- Spin-spin coupling constants troscopy) Solvents (NMR Spectro- CDCl3 scopy) Comment (NMR Spectroscopy)
1H-13C.
Alekseeva, L. M.; Bokanov, A. I.; Shvedov, V. I.; Sheinker, Yu. N.; Journal of Organic Chemistry USSR (English Translation); vol. 22; nb. 9; (1986); p. 1664 - 1666; Zhurnal Organicheskoi Khimii; vol. 22; nb. 9; (1986); p. 1854 - 1857, View in Reaxys
Reaxys ID 4141178 View in Reaxys
O
5/30 CAS Registry Number: 40956-36-3; 40956-37-4 Chemical Name: t-butyl (Z)-2-methyl-3-phenylglicidate; tert.-Butyl-(Z)-2-methyl-3-phenyloxirancarboxylat Linear Structure Formula: C14H18O3 Molecular Formula: C14H18O3 Molecular Weight: 234.295 Type of Substance: heterocyclic InChI Key: JKGZBHVVOWPVKW-FZMZJTMJSA-N Note:
O
O racemate
Substance Label (2) Label References (Z) 1g
Jonczyk, Andrzej; Zomerfeld, Tomasz; Tetrahedron Letters; vol. 44; nb. 11; (2003); p. 2359 - 2361, View in Reaxys
(Z-2c)
Dagli; Wemple; Journal of Organic Chemistry; vol. 39; (1974); p. 2938, View in Reaxys
Boiling Point (1) Boiling Point [°C] 100 - 104
Pressure (Boiling Point) [Torr]
References
0.8
Jonczyk, Andrzej; Zomerfeld, Tomasz; Tetrahedron Letters; vol. 44; nb. 11; (2003); p. 2359 - 2361, View in Reaxys
NMR Spectroscopy (1) 1 of 1
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]
400
Jonczyk, Andrzej; Zomerfeld, Tomasz; Tetrahedron Letters; vol. 44; nb. 11; (2003); p. 2359 - 2361, View in Reaxys
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Reaxys ID 4141179 View in Reaxys
6/30 CAS Registry Number: 40956-36-3; 40956-37-4 Chemical Name: tert.-Butyl-(E)-2-methyl-3-phenyloxirancarboxylat Linear Structure Formula: C14H18O3 Molecular Formula: C14H18O3 Molecular Weight: 234.295 Type of Substance: heterocyclic InChI Key: JKGZBHVVOWPVKW-RISCZKNCSA-N Note:
O
O
O racemate
Substance Label (2) Label References (E) 1g ester
Jonczyk, Andrzej; Zomerfeld, Tomasz; Tetrahedron Letters; vol. 44; nb. 11; (2003); p. 2359 - 2361, View in Reaxys
(E-2c)
Dagli; Wemple; Journal of Organic Chemistry; vol. 39; (1974); p. 2938, View in Reaxys
Reaxys ID 4676675 View in Reaxys
O
7/30 CAS Registry Number: 40956-32-9; 40956-33-0; 80532-66-7; 92817-32-8 Chemical Name: (Z)-methyl 2-methyl-3-phenyl-2-oxiranecarboxylate Linear Structure Formula: C11H12O3 Molecular Formula: C11H12O3 Molecular Weight: 192.214 Type of Substance: heterocyclic InChI Key: CPPPKJUXIISPJL-MWLCHTKSSA-N Note:
O
O racemate
Substance Label (1) Label References E-III
Anisimova, O. S.; Chistyakov, V. V.; Bokanov, A. I.; Shvedov, V. I.; Sheinker, Yu. N.; Chemistry of Heterocyclic Compounds (New York, NY, United States); vol. 22; nb. 10; (1986); p. 1058 - 1063; Khimiya Geterotsiklicheskikh Soedinenii; vol. 22; nb. 10; (1986); p. 1310 - 1314, View in Reaxys
NMR Spectroscopy (1) 1 of 1
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- CDCl3 scopy) Johnson, Carl R.; Bade, Thomas R.; Journal of Organic Chemistry; vol. 47; nb. 7; (1982); p. 1205 - 1212, View in Reaxys Mass Spectrometry (1) Description (Mass References Spectrometry) fragmentation pat- Anisimova, O. S.; Chistyakov, V. V.; Bokanov, A. I.; Shvedov, V. I.; Sheinker, Yu. N.; Chemistry of Hetertern; spectrum; ocyclic Compounds (New York, NY, United States); vol. 22; nb. 10; (1986); p. 1058 - 1063; Khimiya Geterotelectron impact siklicheskikh Soedinenii; vol. 22; nb. 10; (1986); p. 1310 - 1314, View in Reaxys (EI)
Reaxys ID 4676676 View in Reaxys
Copyright © 2016 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
8/30
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CAS Registry Number: 40956-32-9; 40956-33-0; 80532-66-7; 92817-32-8 Chemical Name: (E)-methyl 2-methyl-3-phenyl-2-oxiranecarboxylate Linear Structure Formula: C11H12O3 Molecular Formula: C11H12O3 Molecular Weight: 192.214 Type of Substance: heterocyclic InChI Key: CPPPKJUXIISPJL-GXSJLCMTSA-N Note:
O
O
O racemate
Substance Label (1) Label References Table I, No. 6
Ayi, A. I.; Remli, M.; Condom, R.; Guedj, R.; Journal of Fluorine Chemistry; vol. 17; (1981); p. 565 - 580, View in Reaxys
NMR Spectroscopy (2) 1 of 2
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- CDCl3 scopy) Johnson, Carl R.; Bade, Thomas R.; Journal of Organic Chemistry; vol. 47; nb. 7; (1982); p. 1205 - 1212, View in Reaxys 2 of 2
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- CCl4 scopy) Ayi, A. I.; Remli, M.; Condom, R.; Guedj, R.; Journal of Fluorine Chemistry; vol. 17; (1981); p. 565 - 580, View in Reaxys
Reaxys ID 6143687 View in Reaxys
O
9/30 Chemical Name: t-butyl β-phenyl-α-methylglycidate; (E/Z)-t-butyl 2-methyl-3-phenylglycidate Linear Structure Formula: C14H18O3 Molecular Formula: C14H18O3 Molecular Weight: 234.295 Type of Substance: heterocyclic InChI Key: JKGZBHVVOWPVKW-UHFFFAOYSA-N Note:
O
O
Substance Label (2) Label References (E+Z) 1g
Jonczyk, Andrzej; Zomerfeld, Tomasz; Tetrahedron Letters; vol. 44; nb. 11; (2003); p. 2359 - 2361, View in Reaxys
VI
Bansal, Raj, K.; Shrama, Vino K.; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry; vol. 31; nb. 8; (1992); p. 521 - 523, View in Reaxys
Boiling Point (1) Boiling Point [°C] 150 - 152
Pressure (Boiling Point) [Torr]
References
5
Bansal, Raj, K.; Shrama, Vino K.; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry; vol. 31; nb. 8; (1992); p. 521 - 523, View in Reaxys
Refractive Index (1)
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Refractive Index
Wavelength (Refractive Index) [nm]
Temperature (Re- References fractive Index) [°C]
1.486
589
37
Bansal, Raj, K.; Shrama, Vino K.; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry; vol. 31; nb. 8; (1992); p. 521 - 523, View in Reaxys
NMR Spectroscopy (1) 1 of 1
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- CDCl3 scopy) Bansal, Raj, K.; Shrama, Vino K.; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry; vol. 31; nb. 8; (1992); p. 521 - 523, View in Reaxys IR Spectroscopy (1) 1 of 1
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
neat (no solvent)
Comment (IR Spectroscopy)
1740 cm**(-1)
Bansal, Raj, K.; Shrama, Vino K.; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry; vol. 31; nb. 8; (1992); p. 521 - 523, View in Reaxys
Reaxys ID 1379633 View in Reaxys
O
10/30 CAS Registry Number: 40956-36-3; 40956-37-4 Linear Structure Formula: C14H18O3 Molecular Formula: C14H18O3 Molecular Weight: 234.295 Type of Substance: heterocyclic InChI Key: JKGZBHVVOWPVKW-FZMZJTMJSA-N Note:
O
O
Substance Label (1) Label References Oxiran 7b
d'Incan; Seyden-Penne; Comptes Rendus des Seances de l'Academie des Sciences, Serie C: Sciences Chimiques; vol. 281; (1975); p. 1031, View in Reaxys
Reaxys ID 1383003 View in Reaxys
O
11/30 CAS Registry Number: 52123-63-4; 52123-64-5 Chemical Name: Aethyl-2-methyl-3-deuterio-3-phenylglycidat Linear Structure Formula: C12H13DO3 Molecular Formula: C12H14O3 Molecular Weight: 207.233 Type of Substance: heterocyclic InChI Key: PTJLNEHAZVPEFQ-MMIHMFRQSA-N Note:
O 2H
O
Substance Label (1) Label References (1b)
Kagan; Firth; Journal of Organic Chemistry; vol. 39; (1974); p. 3145, View in Reaxys
Boiling Point (1)
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11/29
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Boiling Point [°C]
Pressure (Boiling Point) [Torr]
References
120 - 125
3
Kagan; Firth; Journal of Organic Chemistry; vol. 39; (1974); p. 3145, View in Reaxys
NMR Spectroscopy (1) 1 of 1
Description (NMR Spec- NMR troscopy) Comment (NMR Spectroscopy)
1H
Kagan; Firth; Journal of Organic Chemistry; vol. 39; (1974); p. 3145, View in Reaxys
Reaxys ID 4676674 View in Reaxys
12/30 CAS Registry Number: 40956-32-9; 40956-33-0; 80532-66-7; 92817-32-8 Linear Structure Formula: C11H12O3 Molecular Formula: C11H12O3 Molecular Weight: 192.214 Type of Substance: heterocyclic InChI Key: CPPPKJUXIISPJL-UMJHXOGRSA-N Note:
O
O
O
Substance Label (1) Label References Z-III
Anisimova, O. S.; Chistyakov, V. V.; Bokanov, A. I.; Shvedov, V. I.; Sheinker, Yu. N.; Chemistry of Heterocyclic Compounds (New York, NY, United States); vol. 22; nb. 10; (1986); p. 1058 - 1063; Khimiya Geterotsiklicheskikh Soedinenii; vol. 22; nb. 10; (1986); p. 1310 - 1314, View in Reaxys
Mass Spectrometry (1) Description (Mass References Spectrometry) fragmentation pat- Anisimova, O. S.; Chistyakov, V. V.; Bokanov, A. I.; Shvedov, V. I.; Sheinker, Yu. N.; Chemistry of Hetertern; spectrum; ocyclic Compounds (New York, NY, United States); vol. 22; nb. 10; (1986); p. 1058 - 1063; Khimiya Geterotelectron impact siklicheskikh Soedinenii; vol. 22; nb. 10; (1986); p. 1310 - 1314, View in Reaxys (EI)
Reaxys ID 4683432 View in Reaxys
O
13/30 CAS Registry Number: 7042-28-6; 7141-24-4; 41232-97-7 Linear Structure Formula: C12H14O3 Molecular Formula: C12H14O3 Molecular Weight: 206.241 Type of Substance: heterocyclic InChI Key: PTJLNEHAZVPEFQ-KFJBMODSSA-N Note:
O
O
Substance Label (2) Label References E-II
Anisimova, O. S.; Chistyakov, V. V.; Bokanov, A. I.; Shvedov, V. I.; Sheinker, Yu. N.; Chemistry of Heterocyclic Compounds (New York, NY, United States); vol. 22; nb. 10; (1986); p. 1058 - 1063; Khimiya Geterotsiklicheskikh Soedinenii; vol. 22; nb. 10; (1986); p. 1310 - 1314, View in Reaxys
Z-II
Anisimova, O. S.; Chistyakov, V. V.; Bokanov, A. I.; Shvedov, V. I.; Sheinker, Yu. N.; Chemistry of Heterocyclic Compounds (New York, NY, United States); vol. 22; nb. 10; (1986); p. 1058 - 1063; Khimiya Geterotsiklicheskikh Soedinenii; vol. 22; nb. 10; (1986); p. 1310 - 1314, View in Reaxys
Mass Spectrometry (1) Description (Mass References Spectrometry)
Copyright © 2016 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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fragmentation pat- Anisimova, O. S.; Chistyakov, V. V.; Bokanov, A. I.; Shvedov, V. I.; Sheinker, Yu. N.; Chemistry of Hetertern; spectrum; ocyclic Compounds (New York, NY, United States); vol. 22; nb. 10; (1986); p. 1058 - 1063; Khimiya Geterotelectron impact siklicheskikh Soedinenii; vol. 22; nb. 10; (1986); p. 1310 - 1314, View in Reaxys (EI)
Reaxys ID 8544994 View in Reaxys
O
14/30 Linear Structure Formula: C12H14O3 Molecular Formula: C12H14O3 Molecular Weight: 206.241 Type of Substance: heterocyclic InChI Key: PTJLNEHAZVPEFQ-ZYHUDNBSSA-N Note:
O
O
Substance Label (1) Label References cis-4a
Kiyooka, Syun-Ichi; Shahid, Kazi A.; Tetrahedron Asymmetry; vol. 11; nb. 7; (2000); p. 1537 - 1542, View in Reaxys
NMR Spectroscopy (3) 1 of 3
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]
400
Kiyooka, Syun-Ichi; Shahid, Kazi A.; Tetrahedron Asymmetry; vol. 11; nb. 7; (2000); p. 1537 - 1542, View in Reaxys 2 of 3
Nucleus (NMR Spectroscopy)
1H
Coupling Nuclei
1H
Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]
400
Kiyooka, Syun-Ichi; Shahid, Kazi A.; Tetrahedron Asymmetry; vol. 11; nb. 7; (2000); p. 1537 - 1542, View in Reaxys 3 of 3
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]
100
Kiyooka, Syun-Ichi; Shahid, Kazi A.; Tetrahedron Asymmetry; vol. 11; nb. 7; (2000); p. 1537 - 1542, View in Reaxys IR Spectroscopy (1) 1 of 1
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
film
Copyright © 2016 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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Kiyooka, Syun-Ichi; Shahid, Kazi A.; Tetrahedron Asymmetry; vol. 11; nb. 7; (2000); p. 1537 - 1542, View in Reaxys
Reaxys ID 10658558 View in Reaxys
O
15/30 CAS Registry Number: 928826-51-1 Linear Structure Formula: C12H14O3 Molecular Formula: C12H14O3 Molecular Weight: 206.241 Type of Substance: heterocyclic InChI Key: PTJLNEHAZVPEFQ-CMPLNLGQSA-N Note:
O O
Substance Label (1) Label References 6l
Chen, Zhihua; Morimoto, Hiroyuki; Matsunaga, Shigeki; Shibasaki, Masakatsu; Synlett; nb. 20; (2006); p. 3529 - 3532, View in Reaxys
Reaxys ID 19462855 View in Reaxys O
16/30 Linear Structure Formula: C12H14O3 Molecular Formula: C12H14O3 Molecular Weight: 206.241 InChI Key: PTJLNEHAZVPEFQ-UHFFFAOYSA-N Note:
O trans O trans trans trans
(+)-enantiomer
Optical Rotatory Power (1) 1 of 1
Type (Optical Rotatory Power)
[alpha]
Concentration (Optical Rotatory Power)
0.87 g/100ml
Enantiomeric excess [%ee]
86
Solvent (Optical Rotatory Power)
chloroform
Optical Rotatory Power [deg]
51.6
Wavelength (Optical Ro- 589 tatory Power) [nm] Temperature (Optical Rotatory Power) [°C]
25
Location
supporting information
Wang, Bin; Wu, Xin-Yan; Wong, O. Andrea; Nettles, Brian; Zhao, Mei-Xin; Chen, Dajun; Shi, Yian; Journal of Organic Chemistry; vol. 74; nb. 10; (2009); p. 3986 - 3989, View in Reaxys NMR Spectroscopy (2) 1 of 2
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- chloroform-d1 scopy)
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Frequency (NMR Spectroscopy) [MHz]
300
Location
supporting information
Wang, Bin; Wu, Xin-Yan; Wong, O. Andrea; Nettles, Brian; Zhao, Mei-Xin; Chen, Dajun; Shi, Yian; Journal of Organic Chemistry; vol. 74; nb. 10; (2009); p. 3986 - 3989, View in Reaxys 2 of 2
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
75
Location
supporting information
Wang, Bin; Wu, Xin-Yan; Wong, O. Andrea; Nettles, Brian; Zhao, Mei-Xin; Chen, Dajun; Shi, Yian; Journal of Organic Chemistry; vol. 74; nb. 10; (2009); p. 3986 - 3989, View in Reaxys IR Spectroscopy (1) 1 of 1
Description (IR Spectroscopy)
Mid IR (MIR); Bands
Location
supporting information
Comment (IR Spectroscopy)
film
Wang, Bin; Wu, Xin-Yan; Wong, O. Andrea; Nettles, Brian; Zhao, Mei-Xin; Chen, Dajun; Shi, Yian; Journal of Organic Chemistry; vol. 74; nb. 10; (2009); p. 3986 - 3989, View in Reaxys Mass Spectrometry (1) Description (Mass Location Spectrometry) HRMS (High reso- supporting inforlution mass spec- mation trometry)
Comment (Mass Spectrometry)
References
mol peak
Wang, Bin; Wu, Xin-Yan; Wong, O. Andrea; Nettles, Brian; Zhao, Mei-Xin; Chen, Dajun; Shi, Yian; Journal of Organic Chemistry; vol. 74; nb. 10; (2009); p. 3986 - 3989, View in Reaxys
Reaxys ID 19462859 View in Reaxys
17/30 Linear Structure Formula: C12H14O3 Molecular Formula: C12H14O3 Molecular Weight: 206.241 InChI Key: PTJLNEHAZVPEFQ-UHFFFAOYSA-N Note:
trans transtrans O O trans O (-)-enantiomer
NMR Spectroscopy (2) 1 of 2
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
300
Location
supporting information
Wang, Bin; Wu, Xin-Yan; Wong, O. Andrea; Nettles, Brian; Zhao, Mei-Xin; Chen, Dajun; Shi, Yian; Journal of Organic Chemistry; vol. 74; nb. 10; (2009); p. 3986 - 3989, View in Reaxys
Copyright © 2016 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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2 of 2
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
75
Location
supporting information
Wang, Bin; Wu, Xin-Yan; Wong, O. Andrea; Nettles, Brian; Zhao, Mei-Xin; Chen, Dajun; Shi, Yian; Journal of Organic Chemistry; vol. 74; nb. 10; (2009); p. 3986 - 3989, View in Reaxys IR Spectroscopy (1) 1 of 1
Description (IR Spectroscopy)
Mid IR (MIR); Bands
Location
supporting information
Comment (IR Spectroscopy)
film
Wang, Bin; Wu, Xin-Yan; Wong, O. Andrea; Nettles, Brian; Zhao, Mei-Xin; Chen, Dajun; Shi, Yian; Journal of Organic Chemistry; vol. 74; nb. 10; (2009); p. 3986 - 3989, View in Reaxys Mass Spectrometry (1) Description (Mass Location Spectrometry) HRMS (High reso- supporting inforlution mass spec- mation trometry)
Comment (Mass Spectrometry)
References
mol peak
Wang, Bin; Wu, Xin-Yan; Wong, O. Andrea; Nettles, Brian; Zhao, Mei-Xin; Chen, Dajun; Shi, Yian; Journal of Organic Chemistry; vol. 74; nb. 10; (2009); p. 3986 - 3989, View in Reaxys
Reaxys ID 21547788 View in Reaxys
O
18/30 Linear Structure Formula: C11H12O3 Molecular Formula: C11H12O3 Molecular Weight: 192.214 InChI Key: CPPPKJUXIISPJL-GXSJLCMTSA-N Note:
O O
Reaxys ID 21547789 View in Reaxys
O
19/30 Linear Structure Formula: C11H12O3 Molecular Formula: C11H12O3 Molecular Weight: 192.214 InChI Key: CPPPKJUXIISPJL-KOLCDFICSA-N Note:
O O
Reaxys ID 21720896 View in Reaxys
Copyright © 2016 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
20/30
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O
CAS Registry Number: 906425-78-3 Chemical Name: NSC195114 Linear Structure Formula: C16H22O3 Molecular Formula: C16H22O3 Molecular Weight: 262.349 InChI Key: HJASZXNFBZQHLE-UHFFFAOYSA-N Note:
O
O
Pharmacological Data (3) 1 of 3
Comment (Pharmacological Data)
Bioactivities present
Habash, Maha; Taha, Mutasem O.; Bioorganic and Medicinal Chemistry; vol. 19; nb. 16; (2011); p. 4746 - 4771, View in Reaxys 2 of 3
Effect (Pharmacological Data)
enzyme activity; inhibition of
Species or Test-System (Pharmacological Data)
muscle glycogen phosphorylase a-form of rabbit
Concentration (Pharmacological Data)
10 μmol/l
Kind of Dosing (Pharma- title comp. dissolved in DMSO cological Data) Further Details (Pharma- in vitro GP enzyme inhibition assay cological Data) Type (Pharmacological Data)
inhibition rate
Value of Type (Pharmacological Data)
23 percent
Habash, Maha; Taha, Mutasem O.; Bioorganic and Medicinal Chemistry; vol. 19; nb. 16; (2011); p. 4746 - 4771, View in Reaxys 3 of 3
Effect (Pharmacological Data)
enzyme activity; inhibition of
Species or Test-System (Pharmacological Data)
muscle glycogen phosphorylase a-form of rabbit
Concentration (Pharmacological Data)
10 μmol/l
Kind of Dosing (Pharma- title comp. dissolved in DMSO cological Data) Further Details (Pharma- in vitro GP enzyme inhibition assay cological Data) Results
molecular target: rabbit glycogen phosphorylase a-form
Habash, Maha; Taha, Mutasem O.; Bioorganic and Medicinal Chemistry; vol. 19; nb. 16; (2011); p. 4746 - 4771, View in Reaxys
Reaxys ID 27712006 View in Reaxys
O
21/30 Linear Structure Formula: C16H22O3 Molecular Formula: C16H22O3 Molecular Weight: 262.349 InChI Key: VPLUBWAYTPDNQM-XJKSGUPXSA-N Note:
O O
rel-configuration
Substance Label (1)
Copyright © 2016 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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Label
References
2b
Luo, Lan; Yamamoto, Hisashi; European Journal of Organic Chemistry; vol. 2014; nb. 35; (2014); p. 7803 7805, View in Reaxys
Crystal Property Description (1) Colour & Other Location Properties colourless
supporting information
References Luo, Lan; Yamamoto, Hisashi; European Journal of Organic Chemistry; vol. 2014; nb. 35; (2014); p. 7803 - 7805, View in Reaxys
NMR Spectroscopy (2) 1 of 2
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]
22.84
Frequency (NMR Spectroscopy) [MHz]
500
Location
supporting information
Luo, Lan; Yamamoto, Hisashi; European Journal of Organic Chemistry; vol. 2014; nb. 35; (2014); p. 7803 - 7805, View in Reaxys 2 of 2
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]
23.74
Frequency (NMR Spectroscopy) [MHz]
126
Location
supporting information
Luo, Lan; Yamamoto, Hisashi; European Journal of Organic Chemistry; vol. 2014; nb. 35; (2014); p. 7803 - 7805, View in Reaxys IR Spectroscopy (1) 1 of 1
Description (IR Spectroscopy)
Bands
Location
supporting information
Comment (IR Spectroscopy)
film
Luo, Lan; Yamamoto, Hisashi; European Journal of Organic Chemistry; vol. 2014; nb. 35; (2014); p. 7803 - 7805, View in Reaxys Mass Spectrometry (1) Description (Mass Location Spectrometry) high resolution supporting informass spectrome- mation try (HRMS); electrospray ionisation (ESI); spectrum
References Luo, Lan; Yamamoto, Hisashi; European Journal of Organic Chemistry; vol. 2014; nb. 35; (2014); p. 7803 - 7805, View in Reaxys
Copyright © 2016 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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Reaxys ID 27712007 View in Reaxys
O
22/30 Linear Structure Formula: C16H22O3 Molecular Formula: C16H22O3 Molecular Weight: 262.349 InChI Key: VPLUBWAYTPDNQM-XJKSGUPXSA-N Note:
O O
Substance Label (1) Label References 2b
Luo, Lan; Yamamoto, Hisashi; European Journal of Organic Chemistry; vol. 2014; nb. 35; (2014); p. 7803 7805, View in Reaxys
NMR Spectroscopy (2) 1 of 2
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]
22.84
Frequency (NMR Spectroscopy) [MHz]
500
Location
supporting information
Luo, Lan; Yamamoto, Hisashi; European Journal of Organic Chemistry; vol. 2014; nb. 35; (2014); p. 7803 - 7805, View in Reaxys 2 of 2
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]
23.74
Frequency (NMR Spectroscopy) [MHz]
126
Location
supporting information
Luo, Lan; Yamamoto, Hisashi; European Journal of Organic Chemistry; vol. 2014; nb. 35; (2014); p. 7803 - 7805, View in Reaxys IR Spectroscopy (1) 1 of 1
Description (IR Spectroscopy)
Bands
Location
supporting information
Comment (IR Spectroscopy)
film
Luo, Lan; Yamamoto, Hisashi; European Journal of Organic Chemistry; vol. 2014; nb. 35; (2014); p. 7803 - 7805, View in Reaxys Mass Spectrometry (1) Description (Mass Location Spectrometry) high resolution mass spectrometry (HRMS); elec-
supporting information
References Luo, Lan; Yamamoto, Hisashi; European Journal of Organic Chemistry; vol. 2014; nb. 35; (2014); p. 7803 - 7805, View in Reaxys
Copyright © 2016 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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trospray ionisation (ESI); spectrum
Reaxys ID 27712009 View in Reaxys
O
23/30 Linear Structure Formula: C16H22O3 Molecular Formula: C16H22O3 Molecular Weight: 262.349 InChI Key: VPLUBWAYTPDNQM-CJNGLKHVSA-N Note:
O O
Substance Label (1) Label References 2b
Luo, Lan; Yamamoto, Hisashi; European Journal of Organic Chemistry; vol. 2014; nb. 35; (2014); p. 7803 7805, View in Reaxys
NMR Spectroscopy (2) 1 of 2
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]
22.84
Frequency (NMR Spectroscopy) [MHz]
500
Location
supporting information
Luo, Lan; Yamamoto, Hisashi; European Journal of Organic Chemistry; vol. 2014; nb. 35; (2014); p. 7803 - 7805, View in Reaxys 2 of 2
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]
23.74
Frequency (NMR Spectroscopy) [MHz]
126
Location
supporting information
Luo, Lan; Yamamoto, Hisashi; European Journal of Organic Chemistry; vol. 2014; nb. 35; (2014); p. 7803 - 7805, View in Reaxys IR Spectroscopy (1) 1 of 1
Description (IR Spectroscopy)
Bands
Location
supporting information
Comment (IR Spectroscopy)
film
Luo, Lan; Yamamoto, Hisashi; European Journal of Organic Chemistry; vol. 2014; nb. 35; (2014); p. 7803 - 7805, View in Reaxys
Copyright © 2016 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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Mass Spectrometry (1) Description (Mass Location Spectrometry)
References
high resolution supporting informass spectrome- mation try (HRMS); electrospray ionisation (ESI); spectrum
Luo, Lan; Yamamoto, Hisashi; European Journal of Organic Chemistry; vol. 2014; nb. 35; (2014); p. 7803 - 7805, View in Reaxys
Reaxys ID 27712010 View in Reaxys
24/30 Linear Structure Formula: C14H18O3 Molecular Formula: C14H18O3 Molecular Weight: 234.295 InChI Key: JKGZBHVVOWPVKW-RISCZKNCSA-N Note:
O O O rel-configuration
Substance Label (1) Label References 2a
Luo, Lan; Yamamoto, Hisashi; European Journal of Organic Chemistry; vol. 2014; nb. 35; (2014); p. 7803 7805, View in Reaxys
Crystal Property Description (1) Colour & Other Location Properties colourless
supporting information
References Luo, Lan; Yamamoto, Hisashi; European Journal of Organic Chemistry; vol. 2014; nb. 35; (2014); p. 7803 - 7805, View in Reaxys
NMR Spectroscopy (2) 1 of 2
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]
22.74
Frequency (NMR Spectroscopy) [MHz]
500
Location
supporting information
Luo, Lan; Yamamoto, Hisashi; European Journal of Organic Chemistry; vol. 2014; nb. 35; (2014); p. 7803 - 7805, View in Reaxys 2 of 2
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]
24.04
Frequency (NMR Spectroscopy) [MHz]
126
Location
supporting information
Luo, Lan; Yamamoto, Hisashi; European Journal of Organic Chemistry; vol. 2014; nb. 35; (2014); p. 7803 - 7805, View in Reaxys IR Spectroscopy (1)
Copyright © 2016 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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1 of 1
Description (IR Spectroscopy)
Bands
Location
supporting information
Comment (IR Spectroscopy)
film
Luo, Lan; Yamamoto, Hisashi; European Journal of Organic Chemistry; vol. 2014; nb. 35; (2014); p. 7803 - 7805, View in Reaxys Mass Spectrometry (1) Description (Mass Location Spectrometry)
References
high resolution supporting informass spectrome- mation try (HRMS); electrospray ionisation (ESI); spectrum
Luo, Lan; Yamamoto, Hisashi; European Journal of Organic Chemistry; vol. 2014; nb. 35; (2014); p. 7803 - 7805, View in Reaxys
Reaxys ID 27712011 View in Reaxys
O
25/30 Linear Structure Formula: C17H24O3 Molecular Formula: C17H24O3 Molecular Weight: 276.376 InChI Key: TVAZPLORKCBRFN-SUMWQHHRSA-N Note:
O O
rel-configuration
Substance Label (1) Label References 2c
Luo, Lan; Yamamoto, Hisashi; European Journal of Organic Chemistry; vol. 2014; nb. 35; (2014); p. 7803 7805, View in Reaxys
Crystal Property Description (1) Colour & Other Location Properties colourless
supporting information
References Luo, Lan; Yamamoto, Hisashi; European Journal of Organic Chemistry; vol. 2014; nb. 35; (2014); p. 7803 - 7805, View in Reaxys
NMR Spectroscopy (2) 1 of 2
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]
23.04
Frequency (NMR Spectroscopy) [MHz]
500
Location
supporting information
Luo, Lan; Yamamoto, Hisashi; European Journal of Organic Chemistry; vol. 2014; nb. 35; (2014); p. 7803 - 7805, View in Reaxys 2 of 2
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
13C
Copyright © 2016 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]
23.84
Frequency (NMR Spectroscopy) [MHz]
126
Location
supporting information
Luo, Lan; Yamamoto, Hisashi; European Journal of Organic Chemistry; vol. 2014; nb. 35; (2014); p. 7803 - 7805, View in Reaxys IR Spectroscopy (1) 1 of 1
Description (IR Spectroscopy)
Bands
Location
supporting information
Comment (IR Spectroscopy)
film
Luo, Lan; Yamamoto, Hisashi; European Journal of Organic Chemistry; vol. 2014; nb. 35; (2014); p. 7803 - 7805, View in Reaxys Mass Spectrometry (1) Description (Mass Location Spectrometry)
References
high resolution supporting informass spectrome- mation try (HRMS); electrospray ionisation (ESI); spectrum
Luo, Lan; Yamamoto, Hisashi; European Journal of Organic Chemistry; vol. 2014; nb. 35; (2014); p. 7803 - 7805, View in Reaxys
Reaxys ID 27712012 View in Reaxys
O
26/30 Linear Structure Formula: C13H16O3 Molecular Formula: C13H16O3 Molecular Weight: 220.268 InChI Key: MBUVFJMZFCDGOV-WCQYABFASA-N Note:
O O
Substance Label (1) Label References 2d
Luo, Lan; Yamamoto, Hisashi; European Journal of Organic Chemistry; vol. 2014; nb. 35; (2014); p. 7803 7805, View in Reaxys
NMR Spectroscopy (2) 1 of 2
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]
23.74
Frequency (NMR Spectroscopy) [MHz]
500
Location
supporting information
Copyright © 2016 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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Luo, Lan; Yamamoto, Hisashi; European Journal of Organic Chemistry; vol. 2014; nb. 35; (2014); p. 7803 - 7805, View in Reaxys 2 of 2
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]
22.94
Frequency (NMR Spectroscopy) [MHz]
126
Location
supporting information
Luo, Lan; Yamamoto, Hisashi; European Journal of Organic Chemistry; vol. 2014; nb. 35; (2014); p. 7803 - 7805, View in Reaxys IR Spectroscopy (1) 1 of 1
Description (IR Spectroscopy)
Bands
Location
supporting information
Comment (IR Spectroscopy)
film
Luo, Lan; Yamamoto, Hisashi; European Journal of Organic Chemistry; vol. 2014; nb. 35; (2014); p. 7803 - 7805, View in Reaxys Mass Spectrometry (1) Description (Mass Location Spectrometry)
References
high resolution supporting informass spectrome- mation try (HRMS); electrospray ionisation (ESI); spectrum
Luo, Lan; Yamamoto, Hisashi; European Journal of Organic Chemistry; vol. 2014; nb. 35; (2014); p. 7803 - 7805, View in Reaxys
Reaxys ID 27712015 View in Reaxys
O
27/30 Linear Structure Formula: C13H16O3 Molecular Formula: C13H16O3 Molecular Weight: 220.268 InChI Key: MBUVFJMZFCDGOV-YPMHNXCESA-N Note:
O O
Substance Label (1) Label References 2d
Luo, Lan; Yamamoto, Hisashi; European Journal of Organic Chemistry; vol. 2014; nb. 35; (2014); p. 7803 7805, View in Reaxys
NMR Spectroscopy (2) 1 of 2
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- chloroform-d1 scopy)
Copyright © 2016 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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Temperature (NMR Spectroscopy) [°C]
23.74
Frequency (NMR Spectroscopy) [MHz]
500
Location
supporting information
Luo, Lan; Yamamoto, Hisashi; European Journal of Organic Chemistry; vol. 2014; nb. 35; (2014); p. 7803 - 7805, View in Reaxys 2 of 2
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]
22.94
Frequency (NMR Spectroscopy) [MHz]
126
Location
supporting information
Luo, Lan; Yamamoto, Hisashi; European Journal of Organic Chemistry; vol. 2014; nb. 35; (2014); p. 7803 - 7805, View in Reaxys IR Spectroscopy (1) 1 of 1
Description (IR Spectroscopy)
Bands
Location
supporting information
Comment (IR Spectroscopy)
film
Luo, Lan; Yamamoto, Hisashi; European Journal of Organic Chemistry; vol. 2014; nb. 35; (2014); p. 7803 - 7805, View in Reaxys Mass Spectrometry (1) Description (Mass Location Spectrometry)
References
high resolution supporting informass spectrome- mation try (HRMS); electrospray ionisation (ESI); spectrum
Luo, Lan; Yamamoto, Hisashi; European Journal of Organic Chemistry; vol. 2014; nb. 35; (2014); p. 7803 - 7805, View in Reaxys
Reaxys ID 27712017 View in Reaxys
28/30 Linear Structure Formula: C17H24O3 Molecular Formula: C17H24O3 Molecular Weight: 276.376 InChI Key: CDKDNDWUQCZWFV-ZBFHGGJFSA-N Note:
O O O rel-configuration
Substance Label (1) Label References 2e
Luo, Lan; Yamamoto, Hisashi; European Journal of Organic Chemistry; vol. 2014; nb. 35; (2014); p. 7803 7805, View in Reaxys
Crystal Property Description (1) Colour & Other Location Properties
References
Copyright © 2016 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
25/29
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colourless
supporting information
Luo, Lan; Yamamoto, Hisashi; European Journal of Organic Chemistry; vol. 2014; nb. 35; (2014); p. 7803 - 7805, View in Reaxys
NMR Spectroscopy (2) 1 of 2
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]
22.94
Frequency (NMR Spectroscopy) [MHz]
500
Location
supporting information
Luo, Lan; Yamamoto, Hisashi; European Journal of Organic Chemistry; vol. 2014; nb. 35; (2014); p. 7803 - 7805, View in Reaxys 2 of 2
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]
24.04
Frequency (NMR Spectroscopy) [MHz]
126
Location
supporting information
Luo, Lan; Yamamoto, Hisashi; European Journal of Organic Chemistry; vol. 2014; nb. 35; (2014); p. 7803 - 7805, View in Reaxys IR Spectroscopy (1) 1 of 1
Description (IR Spectroscopy)
Bands
Location
supporting information
Comment (IR Spectroscopy)
film
Luo, Lan; Yamamoto, Hisashi; European Journal of Organic Chemistry; vol. 2014; nb. 35; (2014); p. 7803 - 7805, View in Reaxys Mass Spectrometry (1) Description (Mass Location Spectrometry) high resolution supporting informass spectrome- mation try (HRMS); electrospray ionisation (ESI); spectrum
References Luo, Lan; Yamamoto, Hisashi; European Journal of Organic Chemistry; vol. 2014; nb. 35; (2014); p. 7803 - 7805, View in Reaxys
Reaxys ID 27712020 View in Reaxys
Copyright © 2016 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
29/30
26/29
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O
Linear Structure Formula: C19H28O3 Molecular Formula: C19H28O3 Molecular Weight: 304.43 InChI Key: WLVLOFWJCFKUNQ-IFXJQAMLSA-N Note:
O O
Substance Label (1) Label References 2f
Luo, Lan; Yamamoto, Hisashi; European Journal of Organic Chemistry; vol. 2014; nb. 35; (2014); p. 7803 7805, View in Reaxys
NMR Spectroscopy (2) 1 of 2
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]
22.74
Frequency (NMR Spectroscopy) [MHz]
500
Location
supporting information
Luo, Lan; Yamamoto, Hisashi; European Journal of Organic Chemistry; vol. 2014; nb. 35; (2014); p. 7803 - 7805, View in Reaxys 2 of 2
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]
24.04
Frequency (NMR Spectroscopy) [MHz]
126
Location
supporting information
Luo, Lan; Yamamoto, Hisashi; European Journal of Organic Chemistry; vol. 2014; nb. 35; (2014); p. 7803 - 7805, View in Reaxys IR Spectroscopy (1) 1 of 1
Description (IR Spectroscopy)
Bands
Location
supporting information
Comment (IR Spectroscopy)
film
Luo, Lan; Yamamoto, Hisashi; European Journal of Organic Chemistry; vol. 2014; nb. 35; (2014); p. 7803 - 7805, View in Reaxys Mass Spectrometry (1) Description (Mass Location Spectrometry) high resolution mass spectrometry (HRMS); elec-
supporting information
References Luo, Lan; Yamamoto, Hisashi; European Journal of Organic Chemistry; vol. 2014; nb. 35; (2014); p. 7803 - 7805, View in Reaxys
Copyright © 2016 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
27/29
2016-02-16 07:02:28
trospray ionisation (ESI); spectrum
Reaxys ID 27712021 View in Reaxys
O
30/30 Linear Structure Formula: C19H28O3 Molecular Formula: C19H28O3 Molecular Weight: 304.43 InChI Key: WLVLOFWJCFKUNQ-KUHUBIRLSA-N Note:
O O
Substance Label (1) Label References 2f
Luo, Lan; Yamamoto, Hisashi; European Journal of Organic Chemistry; vol. 2014; nb. 35; (2014); p. 7803 7805, View in Reaxys
NMR Spectroscopy (2) 1 of 2
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]
22.74
Frequency (NMR Spectroscopy) [MHz]
500
Location
supporting information
Luo, Lan; Yamamoto, Hisashi; European Journal of Organic Chemistry; vol. 2014; nb. 35; (2014); p. 7803 - 7805, View in Reaxys 2 of 2
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]
24.04
Frequency (NMR Spectroscopy) [MHz]
126
Location
supporting information
Luo, Lan; Yamamoto, Hisashi; European Journal of Organic Chemistry; vol. 2014; nb. 35; (2014); p. 7803 - 7805, View in Reaxys IR Spectroscopy (1) 1 of 1
Description (IR Spectroscopy)
Bands
Location
supporting information
Comment (IR Spectroscopy)
film
Copyright © 2016 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
28/29
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Luo, Lan; Yamamoto, Hisashi; European Journal of Organic Chemistry; vol. 2014; nb. 35; (2014); p. 7803 - 7805, View in Reaxys Mass Spectrometry (1) Description (Mass Location Spectrometry) high resolution supporting informass spectrome- mation try (HRMS); electrospray ionisation (ESI); spectrum
References Luo, Lan; Yamamoto, Hisashi; European Journal of Organic Chemistry; vol. 2014; nb. 35; (2014); p. 7803 - 7805, View in Reaxys
Copyright © 2016 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
29/29
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