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4 substances in Reaxys
2016-08-05 16h:43m:15s (EST)
O
1. Query O
O
Search as: As drawn, No mixtures, No charges, No radicals
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Reaxys ID 164033 View in Reaxys
1/4 CAS Registry Number: 4676-39-5 Chemical Name: 1-(1,3-benzodioxol-5-yl)-2-propanone; 1-(1,3benzodioxol-5-yl)acetone Linear Structure Formula: C10H10O3 Molecular Formula: C10H10O3 Molecular Weight: 178.188 Type of Substance: heterocyclic InChI Key: XIYKRJLTYKUWAM-UHFFFAOYSA-N Note:
O O
O
Substance Label (16) Label References 1c
Simon, Robert C.; Busto, Eduardo; Richter, Nina; Belaj, Ferdinand; Kroutil, Wolfgang; European Journal of Organic Chemistry; vol. 2014; nb. 1; (2014); p. 111 - 121, View in Reaxys; Fu, Wai Chung; Zhou, Zhongyuan; Kwong, Fuk Yee; Organometallics; vol. 35; nb. 10; (2016); p. 1553 - 1558, View in Reaxys
2h
Fu, Wai Chung; So, Chau Ming; Chow, Wing Kin; Yuen, On Ying; Kwong, Fuk Yee; Organic Letters; vol. 17; nb. 18; (2015); p. 4612 - 4615, View in Reaxys
27
Macqueen, Preston M.; Chisholm, Alicia J.; Hargreaves, Breanna K. V.; Stradiotto, Mark; Chemistry - A European Journal; vol. 21; nb. 31; (2015); p. 11006 - 11009, View in Reaxys
2
Omori, Alvaro Takeo; De Oliveira, Camila De Souza; Andrade, Kleber Tellini; Capeletto, Marina Gonalves; RSC Advances; vol. 5; nb. 125; (2015); p. 103563 - 103565, View in Reaxys
2a
Chang, Meng-Yang; Lin, Chung-Han; Tai, Hang-Yi; Tetrahedron Letters; vol. 54; nb. 24; (2013); p. 3194 3198, View in Reaxys
2f
Alsabeh, Pamela G.; Stradiotto, Mark; Angewandte Chemie - International Edition; vol. 52; nb. 28; (2013); p. 7242 - 7246; Angew. Chem.; vol. 125; nb. 28; (2013); p. 7383 - 7387, View in Reaxys
PMK
Buchanan, Hilary A. S.; Daeid, Niamh Nic; Meier-Augenstein, Wolfram; Kemp, Helen F.; Kerr, William J.; Middleditch, Michael; Analytical Chemistry; vol. 80; nb. 9; (2008); p. 3350 - 3356, View in Reaxys
10
Li, Li; Chen, Hongbiao; Lin, Yuanbin; Synthetic Communications; vol. 37; nb. 6; (2007); p. 985 - 991, View in Reaxys
1a
Erdelyi, Balazs; Szabo, Antal; Seres, Gabor; Birincsik, Laszlo; Ivanics, Jozsef; Szatzker, Gabor; Poppe, Laszlo; Tetrahedron Asymmetry; vol. 17; nb. 2; (2006); p. 268 - 274, View in Reaxys
1b
Pongo, Laszlo; Agai, Bela; Faigl, Ferenc; Reiter, Jozsef; Simig, Gyula; Journal of Heterocyclic Chemistry; vol. 43; nb. 6; (2006); p. 1539 - 1548, View in Reaxys
3g
Pradhan, Prasun K.; Dey, Sumit; Jaisankar, Parasuraman; Giri, Venkatachalam S.; Synthetic Communications; vol. 35; nb. 7; (2005); p. 913 - 922, View in Reaxys
3
Pifl, Christian; Nagy, Gabor; Berenyi, Sandor; Kattinger, Alexandra; Reither, Harald; Antus, Sandor; Journal of Pharmacology and Experimental Therapeutics; vol. 314; nb. 1; (2005); p. 346 - 354, View in Reaxys
25
Inoue, Kousuke; Makino, Yoshihide; Itoh, Nobuya; Tetrahedron Asymmetry; vol. 16; nb. 15; (2005); p. 2539 - 2549, View in Reaxys
5
Zappala, Maria; Grasso, Silvana; Micale, Nicola; Polimeni, Santina; De Micheli, Carlo; Synthetic Communications; vol. 32; nb. 4; (2002); p. 527 - 533, View in Reaxys
4
Micale, Nicola; Zappala, Maria; Grasso, Silvana; Farmaco (Societa chimica italiana : 1989); vol. 57; nb. 10; (2002); p. 853 - 859, View in Reaxys
XII
Rutavichyus; Valyulene; Kuodis; Kupyatis; Chemistry of Heterocyclic Compounds; vol. 33; nb. 9; (1997); p. 1104 - 1108, View in Reaxys
Patent-Specific Data (1) Prophetic ComReferences pound prophetic product
Patent; BASF Aktiengesellschaft; US5008461; (1991); (A1) English, View in Reaxys
Derivative (2) Derivative
References
benzo[1,3]dioxol-5-yl-acetone(2,4-dinitro-phenylhydrazone)
Bhide, Bhaskar H.; Shah, Kashmira K.; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry; vol. 19; nb. 1; (1980); p. 9 - 12, View in Reaxys; Tamura, Yasumitsu; Choi, Hong Dae; Mizutani, Masako; Ueda, Yuko; Ishibashi, Hiroyuki; Chemical and Pharmaceutical Bulletin; vol. 30; nb. 10; (1982); p. 3574 - 3579, View in Reaxys
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benzo[1,3]dioxol-5-yl-acetone oxime
Bhide, Bhaskar H.; Shah, Kashmira K.; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry; vol. 19; nb. 1; (1980); p. 9 - 12, View in Reaxys
Melting Point (2) 1 of 2
Melting Point [°C]
52 - 54
Location
supporting information
Ackermann, Lutz; Mehta, Vaibhav P.; Chemistry - A European Journal; vol. 18; nb. 33; (2012); p. 10230 - 10233, View in Reaxys 2 of 2
Melting Point [°C]
52
Mori; Nippon Kagaku Zasshi; vol. 81; (1960); p. 464,465-469; Chem.Abstr.; vol. 55; nb. 5358; (1961), View in Reaxys Boiling Point (14) Boiling Point [°C] Pressure (Boiling Point) [Torr]
Comment (Boiling References Point)
120 - 140
2.25023
Buchanan, Hilary A. S.; Daeid, Niamh Nic; Meier-Augenstein, Wolfram; Kemp, Helen F.; Kerr, William J.; Middleditch, Michael; Analytical Chemistry; vol. 80; nb. 9; (2008); p. 3350 - 3356, View in Reaxys
80
0.2
An; D'Aloisio; Venturello; Synthesis; nb. 12; (1992); p. 1229 - 1231, View in Reaxys
283 - 285
Bhide, Bhaskar H.; Shah, Kashmira K.; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry; vol. 19; nb. 1; (1980); p. 9 - 12, View in Reaxys
283 - 284
Adjangba; Billet; Bulletin de la Societe Chimique de France; (1962); p. 1973, View in Reaxys
132 - 133
3
Sugawara; Nippon Nogei Kagaku Kaishi; vol. 33; (1959); p. 648,650; Chem. Zentralbl.; vol. 134; (1963); p. 20767, View in Reaxys
80
0.08
Patent; Lakeside Labor.; US3000903; (1959); Chem.Abstr.; vol. 56; nb. 1393; (1962), View in Reaxys
110 - 111
0.8
Lieberman; Journal of the American Chemical Society; vol. 77; (1955); p. 1114, View in Reaxys
103 - 104
0.2
Pearl; Beyer; Journal of Organic Chemistry; vol. 16; (1951); p. 216,217, 220, View in Reaxys
140 - 145
9
151
10
Paolini; Gazzetta Chimica Italiana; vol. 42 I; (1912); p. 36; Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti; vol. <5> 20 I; (1911); p. 945, View in Reaxys
168
17
Mannich; Jacobsohn; Chemische Berichte; vol. 43; (1910); p. 193, View in Reaxys
163
16
Behal; Tiffeneau; Bulletin de la Societe Chimique de France; vol. <4> 3; (1908); p. 730; Bulletin de la Societe Chimique de France; vol. <4> 7; (1910); p. 332, View in Reaxys
149 - 151
10
Hoering; Chemische Berichte; vol. 38; (1905); p. 2297,3481, View in Reaxys; Patent; Hoering; DE174496; Fortschr. Teerfarbenfabr. Verw. Industriezweige; vol. 8; p. 1273, View in Reaxys
283 - 284
760
Hoering; Chemische Berichte; vol. 38; (1905); p. 2297,3481, View in Reaxys; Patent; Hoering; DE174496; Fortschr. Teerfarbenfabr. Verw. Industriezweige; vol. 8; p. 1273, View in Reaxys
Oel.
Mannich; Schmitt; Archiv der Pharmazie (Weinheim, Germany); vol. 266; (1928); p. 80, View in Reaxys
Refractive Index (6) Refractive Index Wavelength (Refractive Index) [nm]
Temperature (Refractive Index) [°C]
References
1.5445
25
Sugawara; Nippon Nogei Kagaku Kaishi; vol. 33; (1959); p. 648,650; Chem. Zentralbl.; vol. 134; (1963); p. 20767, View in Reaxys
589
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1.542
589
20
Patent; Lakeside Labor.; US3000903; (1959); Chem.Abstr.; vol. 56; nb. 1393; (1962), View in Reaxys
1.54
589
26
Pearl; Beyer; Journal of Organic Chemistry; vol. 16; (1951); p. 216,217, 220, View in Reaxys
1.5428
589
20
Paolini; Gazzetta Chimica Italiana; vol. 42 I; (1912); p. 36; Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti; vol. <5> 20 I; (1911); p. 945, View in Reaxys
1.545
589
15
Wallach; Mueller,H.; Justus Liebigs Annalen der Chemie; vol. 332; (1904); p. 331, View in Reaxys; Behal; Tiffeneau; Bulletin de la Societe Chimique de France; vol. <4> 3; (1908); p. 730; Bulletin de la Societe Chimique de France; vol. <4> 7; (1910); p. 332, View in Reaxys
1.543
589
20
Wallach; Mueller,H.; Justus Liebigs Annalen der Chemie; vol. 332; (1904); p. 331, View in Reaxys
Density (6) 1 of 6
Density [g·cm-3]
1.204
Reference Temperature [°C]
4
Measurement Temperature [°C]
25
Sugawara; Nippon Nogei Kagaku Kaishi; vol. 33; (1959); p. 648,650; Chem. Zentralbl.; vol. 134; (1963); p. 20767, View in Reaxys 2 of 6
Density [g·cm-3]
1.205
Measurement Temperature [°C]
20
Paolini; Gazzetta Chimica Italiana; vol. 42 I; (1912); p. 36; Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti; vol. <5> 20 I; (1911); p. 945, View in Reaxys 3 of 6
Density [g·cm-3]
1.2197
Measurement Temperature [°C]
0
Behal; Tiffeneau; Bulletin de la Societe Chimique de France; vol. <4> 3; (1908); p. 730; Bulletin de la Societe Chimique de France; vol. <4> 7; (1910); p. 332, View in Reaxys 4 of 6
Density [g·cm-3]
1.2035
Measurement Temperature [°C]
22
Behal; Tiffeneau; Bulletin de la Societe Chimique de France; vol. <4> 3; (1908); p. 730; Bulletin de la Societe Chimique de France; vol. <4> 7; (1910); p. 332, View in Reaxys 5 of 6
Density [g·cm-3]
1.2017
Measurement Temperature [°C]
17.5
Hoering; Chemische Berichte; vol. 38; (1905); p. 2297,3481, View in Reaxys; Patent; Hoering; DE174496; Fortschr. Teerfarbenfabr. Verw. Industriezweige; vol. 8; p. 1273, View in Reaxys 6 of 6
Density [g·cm-3]
1.203
Measurement Temperature [°C]
20
Wallach; Mueller,H.; Justus Liebigs Annalen der Chemie; vol. 332; (1904); p. 331, View in Reaxys Chromatographic Data (3) Chromatographic Location data TLC (Thin layer chromatography)
supporting information
References Fu, Wai Chung; So, Chau Ming; Chow, Wing Kin; Yuen, On Ying; Kwong, Fuk Yee; Organic Letters; vol. 17; nb. 18; (2015); p. 4612 - 4615, View in Reaxys; Fu, Wai Chung; Zhou, Zhongyuan; Kwong, Fuk Yee; Organometallics; vol. 35; nb. 10; (2016); p. 1553 1558, View in Reaxys
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TLC (Thin layer chromatography)
Simon, Robert C.; Busto, Eduardo; Richter, Nina; Belaj, Ferdinand; Kroutil, Wolfgang; European Journal of Organic Chemistry; vol. 2014; nb. 1; (2014); p. 111 - 121, View in Reaxys
GC (Gas chroma- supporting infortography) mation
Simon, Robert C.; Busto, Eduardo; Richter, Nina; Belaj, Ferdinand; Kroutil, Wolfgang; European Journal of Organic Chemistry; vol. 2014; nb. 1; (2014); p. 111 - 121, View in Reaxys
Crystal Property Description (6) Colour & Other Location Properties yellow
supporting information
colourless
References Macqueen, Preston M.; Chisholm, Alicia J.; Hargreaves, Breanna K. V.; Stradiotto, Mark; Chemistry - A European Journal; vol. 21; nb. 31; (2015); p. 11006 - 11009, View in Reaxys Simon, Robert C.; Busto, Eduardo; Richter, Nina; Belaj, Ferdinand; Kroutil, Wolfgang; European Journal of Organic Chemistry; vol. 2014; nb. 1; (2014); p. 111 - 121, View in Reaxys
yellow
supporting information
Ackermann, Lutz; Mehta, Vaibhav P.; Chemistry - A European Journal; vol. 18; nb. 33; (2012); p. 10230 - 10233, View in Reaxys
colourless
supporting information
Hesp, Kevin D.; Lundgren, Rylan J.; Stradiotto, Mark; Journal of the American Chemical Society; vol. 133; nb. 14; (2011); p. 5194 - 5197, View in Reaxys
yellow
Buchanan, Hilary A. S.; Daeid, Niamh Nic; Meier-Augenstein, Wolfram; Kemp, Helen F.; Kerr, William J.; Middleditch, Michael; Analytical Chemistry; vol. 80; nb. 9; (2008); p. 3350 - 3356, View in Reaxys
light-brown
Zappala, Maria; Grasso, Silvana; Micale, Nicola; Polimeni, Santina; De Micheli, Carlo; Synthetic Communications; vol. 32; nb. 4; (2002); p. 527 - 533, View in Reaxys; Micale, Nicola; Zappala, Maria; Grasso, Silvana; Farmaco (Societa chimica italiana : 1989); vol. 57; nb. 10; (2002); p. 853 - 859, View in Reaxys
NMR Spectroscopy (23) 1 of 23
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]
25.04
Frequency (NMR Spectroscopy) [MHz]
400.1
Location
supporting information
Fu, Wai Chung; Zhou, Zhongyuan; Kwong, Fuk Yee; Organometallics; vol. 35; nb. 10; (2016); p. 1553 - 1558, View in Reaxys 2 of 23
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]
25.84
Frequency (NMR Spectroscopy) [MHz]
100.6
Location
supporting information
Fu, Wai Chung; Zhou, Zhongyuan; Kwong, Fuk Yee; Organometallics; vol. 35; nb. 10; (2016); p. 1553 - 1558, View in Reaxys 3 of 23
Description (NMR Spec- Chemical shifts; Spectrum troscopy)
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Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]
26.84
Frequency (NMR Spectroscopy) [MHz]
500.1
Location
supporting information
Alsabeh, Pamela G.; Stradiotto, Mark; Angewandte Chemie - International Edition; vol. 52; nb. 28; (2013); p. 7242 - 7246; Angew. Chem.; vol. 125; nb. 28; (2013); p. 7383 - 7387, View in Reaxys; Macqueen, Preston M.; Chisholm, Alicia J.; Hargreaves, Breanna K. V.; Stradiotto, Mark; Chemistry - A European Journal; vol. 21; nb. 31; (2015); p. 11006 - 11009, View in Reaxys 4 of 23
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]
26.84
Frequency (NMR Spectroscopy) [MHz]
125.8
Location
supporting information
Alsabeh, Pamela G.; Stradiotto, Mark; Angewandte Chemie - International Edition; vol. 52; nb. 28; (2013); p. 7242 - 7246; Angew. Chem.; vol. 125; nb. 28; (2013); p. 7383 - 7387, View in Reaxys; Macqueen, Preston M.; Chisholm, Alicia J.; Hargreaves, Breanna K. V.; Stradiotto, Mark; Chemistry - A European Journal; vol. 21; nb. 31; (2015); p. 11006 - 11009, View in Reaxys 5 of 23
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]
25.04
Frequency (NMR Spectroscopy) [MHz]
400
Location
supporting information
Fu, Wai Chung; So, Chau Ming; Chow, Wing Kin; Yuen, On Ying; Kwong, Fuk Yee; Organic Letters; vol. 17; nb. 18; (2015); p. 4612 - 4615, View in Reaxys 6 of 23
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]
25.04
Frequency (NMR Spectroscopy) [MHz]
100
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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Fu, Wai Chung; So, Chau Ming; Chow, Wing Kin; Yuen, On Ying; Kwong, Fuk Yee; Organic Letters; vol. 17; nb. 18; (2015); p. 4612 - 4615, View in Reaxys 7 of 23
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]
20
Frequency (NMR Spectroscopy) [MHz]
300
Location
supporting information
Simon, Robert C.; Busto, Eduardo; Richter, Nina; Belaj, Ferdinand; Kroutil, Wolfgang; European Journal of Organic Chemistry; vol. 2014; nb. 1; (2014); p. 111 - 121, View in Reaxys 8 of 23
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]
20
Frequency (NMR Spectroscopy) [MHz]
75
Location
supporting information
Simon, Robert C.; Busto, Eduardo; Richter, Nina; Belaj, Ferdinand; Kroutil, Wolfgang; European Journal of Organic Chemistry; vol. 2014; nb. 1; (2014); p. 111 - 121, View in Reaxys 9 of 23
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
Ackermann, Lutz; Mehta, Vaibhav P.; Chemistry - A European Journal; vol. 18; nb. 33; (2012); p. 10230 - 10233, View in Reaxys 10 of 23
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
Ackermann, Lutz; Mehta, Vaibhav P.; Chemistry - A European Journal; vol. 18; nb. 33; (2012); p. 10230 - 10233, View in Reaxys 11 of 23
Description (NMR Spec- Chemical shifts troscopy)
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Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]
26.84
Location
supporting information
Hesp, Kevin D.; Lundgren, Rylan J.; Stradiotto, Mark; Journal of the American Chemical Society; vol. 133; nb. 14; (2011); p. 5194 - 5197, View in Reaxys 12 of 23
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]
26.84
Location
supporting information
Hesp, Kevin D.; Lundgren, Rylan J.; Stradiotto, Mark; Journal of the American Chemical Society; vol. 133; nb. 14; (2011); p. 5194 - 5197, View in Reaxys 13 of 23
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
1H
Temperature (NMR Spectroscopy) [°C]
26.84
Location
supporting information
Hesp, Kevin D.; Lundgren, Rylan J.; Stradiotto, Mark; Journal of the American Chemical Society; vol. 133; nb. 14; (2011); p. 5194 - 5197, View in Reaxys 14 of 23
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
13C
Temperature (NMR Spectroscopy) [°C]
26.84
Location
supporting information
Hesp, Kevin D.; Lundgren, Rylan J.; Stradiotto, Mark; Journal of the American Chemical Society; vol. 133; nb. 14; (2011); p. 5194 - 5197, View in Reaxys 15 of 23
Description (NMR Spec- Spectrum troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
400
Location
supporting information
Broussy, Sylvain; Cheloha, Ross W.; Berkowitz, David B.; Organic Letters; vol. 11; nb. 2; (2009); p. 305 - 308, View in Reaxys 16 of 23
Description (NMR Spec- Spectrum troscopy)
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Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
100
Location
supporting information
Broussy, Sylvain; Cheloha, Ross W.; Berkowitz, David B.; Organic Letters; vol. 11; nb. 2; (2009); p. 305 - 308, View in Reaxys 17 of 23
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]
100
Buchanan, Hilary A. S.; Daeid, Niamh Nic; Meier-Augenstein, Wolfram; Kemp, Helen F.; Kerr, William J.; Middleditch, Michael; Analytical Chemistry; vol. 80; nb. 9; (2008); p. 3350 - 3356, View in Reaxys 18 of 23
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]
400
Buchanan, Hilary A. S.; Daeid, Niamh Nic; Meier-Augenstein, Wolfram; Kemp, Helen F.; Kerr, William J.; Middleditch, Michael; Analytical Chemistry; vol. 80; nb. 9; (2008); p. 3350 - 3356, View in Reaxys 19 of 23
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- CDCl3 scopy) Niwa, Masatake; Noda, Hitoshi; Kobayashi, Hiroki; Yamamura, Shosuke; Chemistry Letters; (1980); p. 85 - 88, View in Reaxys; Tamura, Yasumitsu; Choi, Hong Dae; Mizutani, Masako; Ueda, Yuko; Ishibashi, Hiroyuki; Chemical and Pharmaceutical Bulletin; vol. 30; nb. 10; (1982); p. 3574 - 3579, View in Reaxys; An; D'Aloisio; Venturello; Synthesis; nb. 12; (1992); p. 1229 - 1231, View in Reaxys; Durandetti; Sibille; Nedelec; Perichon; Synthetic Communications; vol. 24; nb. 2; (1994); p. 145 - 151, View in Reaxys; Zappala, Maria; Grasso, Silvana; Micale, Nicola; Polimeni, Santina; De Micheli, Carlo; Synthetic Communications; vol. 32; nb. 4; (2002); p. 527 - 533, View in Reaxys; Micale, Nicola; Zappala, Maria; Grasso, Silvana; Farmaco (Societa chimica italiana : 1989); vol. 57; nb. 10; (2002); p. 853 - 859, View in Reaxys 20 of 23
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- CDCl3 scopy) Zappala, Maria; Grasso, Silvana; Micale, Nicola; Polimeni, Santina; De Micheli, Carlo; Synthetic Communications; vol. 32; nb. 4; (2002); p. 527 - 533, View in Reaxys 21 of 23
Description (NMR Spec- Chemical shifts troscopy)
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Nucleus (NMR Spectroscopy)
13C
Carter, James F.; Titterton, Emma L.; Grant, Helen; Sleeman, Richard; Chemical Communications; nb. 21; (2002); p. 2590 - 2591, View in Reaxys 22 of 23
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- CCl4 scopy) Barreiro, Eliezer J.; Costa, Paulo R. R.; Barros, Perola Regina V. R.; Queiroz, Waldemir M.; Journal of Chemical Research, Miniprint; nb. 4; (1982); p. 1142 - 1165, View in Reaxys; De Boer; Tan; Gorter; Van de Wal; Kettenesvan den Bosch; De Bruijn; Maes; Journal of Mass Spectrometry; vol. 32; nb. 11; (1997); p. 1236 - 1246, View in Reaxys 23 of 23
Description (NMR Spec- Spin-spin coupling constants troscopy) Solvents (NMR Spectro- CDCl3 scopy) Comment (NMR Spectroscopy)
1H-1H
An; D'Aloisio; Venturello; Synthesis; nb. 12; (1992); p. 1229 - 1231, View in Reaxys IR Spectroscopy (6) 1 of 6
Description (IR Spectroscopy)
Bands
Location
supporting information
Comment (IR Spectroscopy)
neat (no solvent, solid phase)
Ackermann, Lutz; Mehta, Vaibhav P.; Chemistry - A European Journal; vol. 18; nb. 33; (2012); p. 10230 - 10233, View in Reaxys 2 of 6
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
CH2Cl2
Buchanan, Hilary A. S.; Daeid, Niamh Nic; Meier-Augenstein, Wolfram; Kemp, Helen F.; Kerr, William J.; Middleditch, Michael; Analytical Chemistry; vol. 80; nb. 9; (2008); p. 3350 - 3356, View in Reaxys 3 of 6
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
CHCl3
Comment (IR Spectroscopy)
1695 cm**(-1)
Tamura, Yasumitsu; Choi, Hong Dae; Mizutani, Masako; Ueda, Yuko; Ishibashi, Hiroyuki; Chemical and Pharmaceutical Bulletin; vol. 30; nb. 10; (1982); p. 3574 - 3579, View in Reaxys 4 of 6
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
neat (no solvent)
Comment (IR Spectroscopy)
1720 cm**(-1)
Barreiro, Eliezer J.; Costa, Paulo R. R.; Barros, Perola Regina V. R.; Queiroz, Waldemir M.; Journal of Chemical Research, Miniprint; nb. 4; (1982); p. 1142 - 1165, View in Reaxys 5 of 6
Description (IR Spectroscopy)
Bands
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Comment (IR Spectroscopy)
1720 cm**(-1)
Bhide, Bhaskar H.; Shah, Kashmira K.; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry; vol. 19; nb. 1; (1980); p. 9 - 12, View in Reaxys 6 of 6
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
neat (no solvent)
Comment (IR Spectroscopy)
1710 - 1495 cm**(-1)
Niwa, Masatake; Noda, Hitoshi; Kobayashi, Hiroki; Yamamura, Shosuke; Chemistry Letters; (1980); p. 85 - 88, View in Reaxys Mass Spectrometry (10) Description (Mass Location Spectrometry)
References
electron impact (EI); spectrum
Fu, Wai Chung; So, Chau Ming; Chow, Wing Kin; Yuen, On Ying; Kwong, Fuk Yee; Organic Letters; vol. 17; nb. 18; (2015); p. 4612 - 4615, View in Reaxys
supporting information
gas chromatography mass spectrometry (GCMS); electron impact (EI); spectrum
Simon, Robert C.; Busto, Eduardo; Richter, Nina; Belaj, Ferdinand; Kroutil, Wolfgang; European Journal of Organic Chemistry; vol. 2014; nb. 1; (2014); p. 111 - 121, View in Reaxys
tandem mass spectrometry; fragmentation pattern; spectrum
Stojanovska, Natasha; Kelly, Tamsin; Tahtouh, Mark; Beavis, Alison; Fu, Shanlin; Rapid Communications in Mass Spectrometry; vol. 28; nb. 7; (2014); p. 731 - 740, View in Reaxys
electrospray ionisation (ESI); spectrum
Stojanovska, Natasha; Kelly, Tamsin; Tahtouh, Mark; Beavis, Alison; Fu, Shanlin; Rapid Communications in Mass Spectrometry; vol. 28; nb. 7; (2014); p. 731 - 740, View in Reaxys
EI (Electron imsupporting inforpact); HRMS mation (High resolution mass spectrometry); FT-ICR (Fourier transform ion cyclotron resonance); Spectrum
Ackermann, Lutz; Mehta, Vaibhav P.; Chemistry - A European Journal; vol. 18; nb. 33; (2012); p. 10230 - 10233, View in Reaxys
EI (Electron impact); Spectrum
supporting information
Ackermann, Lutz; Mehta, Vaibhav P.; Chemistry - A European Journal; vol. 18; nb. 33; (2012); p. 10230 - 10233, View in Reaxys
HRMS (High resolution mass spectrometry); ESI (Electrospray ionisation); Spectrum
supporting information
Hesp, Kevin D.; Lundgren, Rylan J.; Stradiotto, Mark; Journal of the American Chemical Society; vol. 133; nb. 14; (2011); p. 5194 - 5197, View in Reaxys
spectrum
Barreiro, Eliezer J.; Costa, Paulo R. R.; Barros, Perola Regina V. R.; Queiroz, Waldemir M.; Journal of Chemical Research, Miniprint; nb. 4; (1982); p. 1142 - 1165, View in Reaxys; Zappala, Maria; Grasso, Silvana; Micale, Nicola; Polimeni, Santina; De Micheli, Carlo; Synthetic Communications; vol. 32; nb. 4; (2002); p. 527 - 533, View in Reaxys
spectrum; electron impact (EI)
De Boer; Tan; Gorter; Van de Wal; Kettenes-van den Bosch; De Bruijn; Maes; Journal of Mass Spectrometry; vol. 32; nb. 11; (1997); p. 1236 - 1246, View in Reaxys Willhalm,B. et al.; Tetrahedron; vol. 20; (1964); p. 1185 - 1209, View in Reaxys
UV/VIS Spectroscopy (1) 1 of 1
Description (UV/VIS Spectroscopy)
Spectrum
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Solvent (UV/VIS Spectroscopy)
hexane; ethanol
Comment (UV/VIS Spectroscopy)
220 - 320 nm
Hillmer; Schorning; Zeitschrift fuer Physikalische Chemie (Leipzig); vol. <A> 168; (1934); p. 81,104, View in Reaxys Pharmacological Data (6) 1 of 6
Comment (Pharmacological Data)
Bioactivities present
Willhalm,B. et al.; Tetrahedron; vol. 20; (1964); p. 1185 - 1209, View in Reaxys; Patent; Montedison S.p.A.; US4731482; (1988); (A1) English, View in Reaxys; Patent; Banyu Pharmaceutical Co., Ltd.; US6083985; (2000); (A1) English, View in Reaxys; Patent; Banyu Pharmaceutical Co., Ltd.; US5981573; (1999); (A1) English, View in Reaxys; Schwenker; Metz; Synthesis; vol. No. 8; (1975); p. 496 - 499, View in Reaxys; Reichert,B.; Lechner,A.; Arzneimittel Forschung; vol. 15; (1965); p. 36 - 46, View in Reaxys; Patent; Microgenics Corporation; US2003/207469; (2003); (A1) English, View in Reaxys; Paolini; Luzzi; Balbiano; Chemische Berichte; vol. 36; (1903); p. 3580; Gazzetta Chimica Italiana; vol. 36 I; (1906); p. 273,274, View in Reaxys; Wallach; Mueller,H.; Justus Liebigs Annalen der Chemie; vol. 332; (1904); p. 331, View in Reaxys; Behal; Tiffeneau; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 141; (1905); p. 597; Bulletin de la Societe Chimique de France; vol. <4> 3; (1908); p. 735, View in Reaxys; Hoering; Chemische Berichte; vol. 38; (1905); p. 2297,3481, View in Reaxys; Balbiano; Paolini; Gazzetta Chimica Italiana; vol. 36 I; (1906); p. 296, View in Reaxys; Darzens; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 142; (1906); p. 215, View in Reaxys; Patent; Hoering; DE174496; Fortschr. Teerfarbenfabr. Verw. Industriezweige; vol. 8; p. 1273, View in Reaxys; Paolini; Gazzetta Chimica Italiana; vol. 42 I; (1912); p. 36; Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti; vol. <5> 20 I; (1911); p. 945, View in Reaxys; Mosettig; Chemische Berichte; vol. 61; (1928); p. 1392,1394; Chemische Berichte; vol. 62; (1929); p. 1276, View in Reaxys; Mosettig; Jovanovic; Monatshefte fuer Chemie; vol. 53/54; (1929); p. 435, View in Reaxys; Mannich; Schmitt; Archiv der Pharmazie (Weinheim, Germany); vol. 266; (1928); p. 80, View in Reaxys; Tiffeneau; Levy; Bulletin de la Societe Chimique de France; vol. <4> 49; (1931); p. 1738,1746, View in Reaxys; Sugawara; Nippon Nogei Kagaku Kaishi; vol. 33; (1959); p. 648,650; Chem. Zentralbl.; vol. 134; (1963); p. 20767, View in Reaxys 2 of 6
Comment (Pharmacological Data)
Bioactivities present
Hillmer; Schorning; Zeitschrift fuer Physikalische Chemie (Leipzig); vol. <A> 168; (1934); p. 81,104, View in Reaxys; Mosettig; Czadek; Monatshefte fuer Chemie; vol. 57; (1931); p. 291,301, View in Reaxys; Lieberman; Journal of the American Chemical Society; vol. 77; (1955); p. 1114, View in Reaxys; Kawazu; Yakugaku Zasshi; vol. 79; (1959); p. 1335,1337; Chem.Abstr.; (1960); p. 4475, View in Reaxys; Pailer; Monatshefte fuer Chemie; vol. 77; (1947); p. 45,51, View in Reaxys; Fujisawa; Yakugaku Zasshi; vol. 79; (1959); p. 775; Chem.Abstr.; (1959); p. 21950, View in Reaxys; Campbell; Stevens; Journal of the Chemical Society; (1956); p. 959,960, View in Reaxys; Elks; Hey; Journal of the Chemical Society; (1943); p. 15, View in Reaxys; Patent; Sulphite Prod. Corp.; US2644822; (1953), View in Reaxys; Mannich; Jacobsohn; Chemische Berichte; vol. 43; (1910); p. 193, View in Reaxys; Fujisawa; Deguchi; Yakugaku Zasshi; vol. 74; (1954); p. 977,979; Chem.Abstr.; (1955); p. 10959, View in Reaxys; Fujisawa; Yakugaku Zasshi; vol. 79; (1959); p. 848; Chem.Abstr.; (1959); p. 21953, View in Reaxys; Biel et al.; Journal of the American Chemical Society; vol. 81; (1959); p. 2805,2810, 2813, View in Reaxys; Meerwein; Burneleit; Chemische Berichte; vol. 61; (1928); p. 1845, View in Reaxys; Smidt et al.; Angewandte Chemie; vol. 71; (1959); p. 176,180,182; Angewandte Chemie; vol. 74; (1962); p. 93, View in Reaxys; Behal; Tiffeneau; Bulletin de la Societe Chimique de France; vol. <4> 3; (1908); p. 730; Bulletin de la Societe Chimique de France; vol. <4> 7; (1910); p. 332, View in Reaxys; Hillmer; Schorning; Zeitschrift fuer Physikalische Chemie (Leipzig); vol. <A> 167; (1934); p. 407,414, 415; Zeitschrift fuer Physikalische Chemie (Leipzig); vol. <A> 168; (1934); p. 81,101, 102, View in Reaxys; Angeli; Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti; vol. <5> 21 I; (1912); p. 623; Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti; vol. <5> 22 I; (1913); p. 851, View in Reaxys; Angeli; Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti; vol. <5> 20 II; (1911); p. 447;21 I,622;22 I,851, View in Reaxys; Balbiano; Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti; vol. <5> 20 II; (1911); p. 248;21 I,390;22 I,576, View in Reaxys 3 of 6
Comment (Pharmacological Data)
Bioactivities present
Buth; Kuelz; Rosenmund; Chemische Berichte; vol. 72; (1939); p. 19,28, View in Reaxys; Pearl; Beyer; Journal of Organic Chemistry; vol. 16; (1951); p. 216,217, 220, View in Reaxys; Koyama et al.; Yakugaku Zasshi; vol. 90; (1970); p. 11,13; Chem.Abstr.; vol. 72; nb. 90225; (1970), View in Reaxys; Patent; Lakeside Labor.; US3000903; (1959); Chem.Abstr.; vol. 56; nb. 1393; (1962), View in Reaxys; Adjangba; Billet; Bulletin de la Societe Chimique de France; (1962); p. 1973, View in Reaxys; Mori; Nippon Kagaku Zasshi; vol. 81; (1960); p. 464,465-469; Chem.Abstr.; vol. 55; nb. 5358; (1961), View in Reaxys; Pandey, G.; Krishna, A.; Bhalerao, U.T.; Tetrahedron Letters; vol. 30; nb. 14; (1989); p. 1867 - 1870, View in Reaxys; Rao, Koppaka V.; Alvarez, Francisco M.; Tetrahedron Letters; vol. 24; nb. 45; (1983); p. 4947 - 4950, View in Reaxys; Maruoka, Keiji; Nagahara, Shigeru; Ooi, Takashi;
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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Yamamoto, Hisashi; Tetrahedron Letters; vol. 30; nb. 41; (1989); p. 5607 - 5610, View in Reaxys; Uneyama, Kenji; Isimura, Akihiro; Fujii, Kazuyuki; Torii, Sigeru; Tetrahedron Letters; vol. 24; nb. 28; (1983); p. 2857 - 2860, View in Reaxys; Smidrkal, Jan; Holubek, Jiri; Slanger, Jiri; Trojanek, Jan; Collection of Czechoslovak Chemical Communications; vol. 50; nb. 4; (1985); p. 861 - 868, View in Reaxys; Bhide, Bhaskar H.; Shah, Kashmira K.; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry; vol. 19; nb. 1; (1980); p. 9 - 12, View in Reaxys; Torii, Sigeru; Uneyama, Kenji; Ueda, Kyoji; Journal of Organic Chemistry; vol. 49; nb. 10; (1984); p. 1830 - 1832, View in Reaxys; Shono, Tatsuya; Hamaguchi, Hiroshi; Mikami, Hiroshi; Nogusa, Hideo; Kashimura, Shigenori; Journal of Organic Chemistry; vol. 48; nb. 12; (1983); p. 2103 - 2105, View in Reaxys; Napolitano, Elio; Morsani, Massimo; Fiaschi, Rita; Gazzetta Chimica Italiana; vol. 121; nb. 5; (1991); p. 249 - 255, View in Reaxys; Fukuto; Kumagai; Cho; Journal of Medicinal Chemistry; vol. 34; nb. 9; (1991); p. 2871 - 2876, View in Reaxys; Maruoka, Keiji; Ooi, Takashi; Nagahara, Shigeru; Yamamoto, Hisashi; Tetrahedron; vol. 47; nb. 34; (1991); p. 6983 - 6998, View in Reaxys; Niwa, Masatake; Noda, Hitoshi; Kobayashi, Hiroki; Yamamura, Shosuke; Chemistry Letters; (1980); p. 85 - 88, View in Reaxys; nagashima, Hideo; Sato, Koji; Tsuii, Jiro; Tetrahedron; vol. 41; nb. 23; (1985); p. 5645 - 5651, View in Reaxys; Danishefsky; Morris; Mullen; Gammill; Journal of the American Chemical Society; vol. 102; nb. 8; (1980); p. 2838 - 2840, View in Reaxys 4 of 6
Comment (Pharmacological Data)
Bioactivities present
Hutchison; Marshall; Prager; et al.; Australian Journal of Chemistry; vol. 33; nb. 12; (1980); p. 2699 - 2715, View in Reaxys; Bhardwaj, D. K.; Jain, R. K.; Munjal, Anita; Rani, Amita; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry; vol. 21; nb. 5; (1982); p. 493 - 495, View in Reaxys; Tamura, Yasumitsu; Choi, Hong Dae; Mizutani, Masako; Ueda, Yuko; Ishibashi, Hiroyuki; Chemical and Pharmaceutical Bulletin; vol. 30; nb. 10; (1982); p. 3574 - 3579, View in Reaxys; Danishefsky, Samuel; Morris, Joel; Mullen, George; Gammill, Ronald; Journal of the American Chemical Society; vol. 104; nb. 26; (1982); p. 7591 - 7599, View in Reaxys; Nagahara, Shigeru; Maruoka, Keiji; Yamamoto, Hisashi; Chemistry Letters; nb. 7; (1992); p. 1193 - 1196, View in Reaxys; An; D'Aloisio; Venturello; Synthesis; nb. 12; (1992); p. 1229 - 1231, View in Reaxys; Papadaki-Valiraki; Papaioannou; Siatra-Papastaikoudi; Sambani; Thomou; European Journal of Medicinal Chemistry; vol. 24; nb. 4; (1989); p. 455 - 457, View in Reaxys; Braun; Shulgin; Arzneimittel-Forschung; vol. 30; nb. 5; (1980); p. 825 - 830, View in Reaxys; Hashimoto, Norio; Aoyama, Toyohiko; Shioiri, Takayuki; Heterocycles; vol. 15; nb. 2; (1981); p. 975 - 979, View in Reaxys; Nichols; Hoffman; Oberlender; Jacob III; Shulgin; Journal of Medicinal Chemistry; vol. 29; nb. 10; (1986); p. 2009 - 2015, View in Reaxys; Braun; Shulgin; Journal of Pharmaceutical Sciences; vol. 69; nb. 2; (1980); p. 192 - 195, View in Reaxys; Inokuchi, Tsutomu; Ping, Liu; Hamaue, Fumihiro; Izawa, Miyoko; Torii, Sigeru; Chemistry Letters; nb. 1; (1994); p. 121 - 124, View in Reaxys; Durandetti; Sibille; Nedelec; Perichon; Synthetic Communications; vol. 24; nb. 2; (1994); p. 145 - 151, View in Reaxys; Barreiro, Eliezer J.; Costa, Paulo R. R.; Barros, Perola Regina V. R.; Queiroz, Waldemir M.; Journal of Chemical Research, Miniprint; nb. 4; (1982); p. 1142 - 1165, View in Reaxys; Anderson, Benjamin A.; Hansen, Marvin M.; Harkness, Allen R.; Henry, Cynthia L.; Vicenzi, Jeffrey T.; Zmijewski, Milton J.; Journal of the American Chemical Society; vol. 117; nb. 49; (1995); p. 12358 - 12359, View in Reaxys; Durandetti, Muriel; Nedelec, Jean-Yves; Perichon, Jacques; Journal of Organic Chemistry; vol. 61; nb. 5; (1996); p. 1748 - 1755, View in Reaxys; De Boer; Tan; Gorter; Van de Wal; Kettenes-van den Bosch; De Bruijn; Maes; Journal of Mass Spectrometry; vol. 32; nb. 11; (1997); p. 1236 - 1246, View in Reaxys; Rutavichyus; Valyulene; Kuodis; Kupyatis; Chemistry of Heterocyclic Compounds; vol. 33; nb. 9; (1997); p. 1104 - 1108, View in Reaxys; Rutavichyus; Valyulene; Chemistry of Heterocyclic Compounds; vol. 34; nb. 12; (1998); p. 1436 - 1441, View in Reaxys; Yadav; Subba Reddy; Srinivas; Ramalingam; Synlett; nb. 10; (2000); p. 1447 - 1449, View in Reaxys 5 of 6
Comment (Pharmacological Data)
Bioactivities present
Zappala, Maria; Grasso, Silvana; Micale, Nicola; Polimeni, Santina; De Micheli, Carlo; Synthetic Communications; vol. 32; nb. 4; (2002); p. 527 - 533, View in Reaxys; Micale, Nicola; Zappala, Maria; Grasso, Silvana; Farmaco (Societa chimica italiana : 1989); vol. 57; nb. 10; (2002); p. 853 - 859, View in Reaxys; Carter, James F.; Titterton, Emma L.; Grant, Helen; Sleeman, Richard; Chemical Communications; nb. 21; (2002); p. 2590 - 2591, View in Reaxys; Souers, Andrew J.; Wodka, Dariusz; Gao, Ju; Lewis, Jared C.; Vasudevan, Anil; Brodjian, Sevan; Dayton, Brian; Ogiela, Christopher A.; Fry, Dennis; Hernandez, Lisa E.; Marsh, Kennan C.; Collins, Christine A.; Kym, Philip R.; Bioorganic and Medicinal Chemistry Letters; vol. 14; nb. 19; (2004); p. 4883 - 4886, View in Reaxys; Pradhan, Prasun K.; Dey, Sumit; Jaisankar, Parasuraman; Giri, Venkatachalam S.; Synthetic Communications; vol. 35; nb. 7; (2005); p. 913 - 922, View in Reaxys; Pifl, Christian; Nagy, Gabor; Berenyi, Sandor; Kattinger, Alexandra; Reither, Harald; Antus, Sandor; Journal of Pharmacology and Experimental Therapeutics; vol. 314; nb. 1; (2005); p. 346 - 354, View in Reaxys; Inoue, Kousuke; Makino, Yoshihide; Itoh, Nobuya; Tetrahedron Asymmetry; vol. 16; nb. 15; (2005); p. 2539 - 2549, View in Reaxys; Erdelyi, Balazs; Szabo, Antal; Seres, Gabor; Birincsik, Laszlo; Ivanics, Jozsef; Szatzker, Gabor; Poppe, Laszlo; Tetrahedron Asymmetry; vol. 17; nb. 2; (2006); p. 268 - 274, View in Reaxys; Pongo, Laszlo; Agai, Bela; Faigl, Ferenc; Reiter, Jozsef; Simig, Gyula; Journal of Heterocyclic Chemistry; vol. 43; nb. 6; (2006); p. 1539 - 1548, View in Reaxys; Li, Li; Chen, Hongbiao; Lin, Yuanbin; Synthetic Communications; vol. 37; nb. 6; (2007); p. 985 - 991, View in Reaxys; Lebedev; Lebedeva; Sheludyakov; Kovaleva; Ustinova; Kozhevnikov; Russian Journal of General Chemistry; vol. 75; nb. 3; (2005); p. 412 - 416, View in Reaxys; Montgomery; Buon; Eibauer; Guiry; Keenan; McBean; British Journal of Pharmacology; vol. 152; nb. 7; (2007); p. 1121 - 1130, View in Reaxys; Patent; Ube Industries, Ltd.; US4638094; (1987); (A1) English, View in Reaxys; Patent; BASF Aktiengesellschaft; US5008461; (1991); (A1) English, View in Reaxys; Buchanan, Hilary A. S.; Daeid, Niamh Nic; Meier-Augenstein, Wolfram; Kemp, Helen F.; Kerr, William J.; Middleditch, Michael; Analytical Chemistry; vol. 80; nb. 9; (2008); p. 3350 - 3356, View in Reaxys; Broussy, Sylvain; Cheloha, Ross W.; Berkowitz, David B.; Organic Letters; vol. 11; nb. 2; (2009); p. 305 - 308,
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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View in Reaxys; Xie, Jian-Hua; Liu, Sheng; Kong, Wei-Ling; Bai, Wen-Ju; Wang, Xiao-Chen; et al.; Journal of the American Chemical Society; vol. 131; (2009); p. 4222 - 4223, View in Reaxys; Parreira, Luciana A.; Menini, Luciano; Da Cruz Santos, Joyce C.; Gusevskaya, Elena V.; Advanced Synthesis and Catalysis; vol. 352; nb. 9; (2010); p. 1533 - 1538, View in Reaxys; Hesp, Kevin D.; Lundgren, Rylan J.; Stradiotto, Mark; Journal of the American Chemical Society; vol. 133; nb. 14; (2011); p. 5194 - 5197, View in Reaxys; Ding, Jiaoyang; Cao, Liping; Wang, Jungang; Xue, Weijian; Zhu, Yanping; Wu, Anxin; Journal of Chemical Research; vol. 35; nb. 5; (2011); p. 298 - 301, View in Reaxys 6 of 6
Comment (Pharmacological Data)
Bioactivities present
Ackermann, Lutz; Mehta, Vaibhav P.; Chemistry - A European Journal; vol. 18; nb. 33; (2012); p. 10230 - 10233, View in Reaxys; Gandy, Michael N.; McIldowie, Matthew; Lewis, Katie; Wasik, Agata M.; Salomonczyk, Danielle; Wagg, Keith; Millar, Zak A.; Tindiglia, David; Huot, Philippe; Johnston, Tom; Thiele, Sherri; Nguyen, Blake; Barnes, Nicholas M.; Brotchie, Jonathan M.; Martin-Iverson, Mathew T.; Nash, Joanne; Gordon, John; Piggott, Matthew J.; MedChemComm; vol. 1; nb. 4; (2010); p. 287 - 293, View in Reaxys; Chang, Meng-Yang; Lin, Chung-Han; Tai, Hang-Yi; Tetrahedron Letters; vol. 54; nb. 24; (2013); p. 3194 - 3198, View in Reaxys; Alsabeh, Pamela G.; Stradiotto, Mark; Angewandte Chemie - International Edition; vol. 52; nb. 28; (2013); p. 7242 7246; Angew. Chem.; vol. 125; nb. 28; (2013); p. 7383 - 7387, View in Reaxys; Simon, Robert C.; Busto, Eduardo; Richter, Nina; Belaj, Ferdinand; Kroutil, Wolfgang; European Journal of Organic Chemistry; vol. 2014; nb. 1; (2014); p. 111 - 121, View in Reaxys; Stojanovska, Natasha; Kelly, Tamsin; Tahtouh, Mark; Beavis, Alison; Fu, Shanlin; Rapid Communications in Mass Spectrometry; vol. 28; nb. 7; (2014); p. 731 - 740, View in Reaxys; Fu, Wai Chung; So, Chau Ming; Chow, Wing Kin; Yuen, On Ying; Kwong, Fuk Yee; Organic Letters; vol. 17; nb. 18; (2015); p. 4612 - 4615, View in Reaxys; Macqueen, Preston M.; Chisholm, Alicia J.; Hargreaves, Breanna K. V.; Stradiotto, Mark; Chemistry - A European Journal; vol. 21; nb. 31; (2015); p. 11006 - 11009, View in Reaxys; Omori, Alvaro Takeo; De Oliveira, Camila De Souza; Andrade, Kleber Tellini; Capeletto, Marina Gonalves; RSC Advances; vol. 5; nb. 125; (2015); p. 103563 - 103565, View in Reaxys; Fu, Wai Chung; Zhou, Zhongyuan; Kwong, Fuk Yee; Organometallics; vol. 35; nb. 10; (2016); p. 1553 - 1558, View in Reaxys
Reaxys ID 26969014 View in Reaxys
H
O 13 C O
13C
13C
13C
13C
2/4 CAS Registry Number: 1538556-38-5 Chemical Name: 3,4-methylenedioxy-[13C6]-phenyl-2-propanone Linear Structure Formula: C4 (13)C6H10O3 Molecular Formula: C10H10O3 Molecular Weight: 184.122 InChI Key: XIYKRJLTYKUWAM-GBDAEYFOSA-N Note:
O
13CH
H
Substance Label (1) Label References 12
Karlsen, Morten; Liu, Huiling; Berg, Thomas; Johansen, Jon Eigill; Hoff, Bard Helge; Journal of Labelled Compounds and Radiopharmaceuticals; vol. 57; nb. 5; (2014); p. 378 - 387, View in Reaxys
Crystal Property Description (1) Colour & Other References Properties colourless
Karlsen, Morten; Liu, Huiling; Berg, Thomas; Johansen, Jon Eigill; Hoff, Bard Helge; Journal of Labelled Compounds and Radiopharmaceuticals; vol. 57; nb. 5; (2014); p. 378 - 387, View in Reaxys
NMR Spectroscopy (2) 1 of 2
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Coupling Nuclei
1H
Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
400
Karlsen, Morten; Liu, Huiling; Berg, Thomas; Johansen, Jon Eigill; Hoff, Bard Helge; Journal of Labelled Compounds and Radiopharmaceuticals; vol. 57; nb. 5; (2014); p. 378 - 387, 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 troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
100
Karlsen, Morten; Liu, Huiling; Berg, Thomas; Johansen, Jon Eigill; Hoff, Bard Helge; Journal of Labelled Compounds and Radiopharmaceuticals; vol. 57; nb. 5; (2014); p. 378 - 387, View in Reaxys Mass Spectrometry (1) Description (Mass References Spectrometry) electron impact (EI); spectrum
Karlsen, Morten; Liu, Huiling; Berg, Thomas; Johansen, Jon Eigill; Hoff, Bard Helge; Journal of Labelled Compounds and Radiopharmaceuticals; vol. 57; nb. 5; (2014); p. 378 - 387, View in Reaxys
Reaxys ID 24241785 View in Reaxys
3/4 Linear Structure Formula: C10H10O3*ClH Molecular Formula: C10H10O3*ClH Molecular Weight: 214.649 InChI Key: QFABKCVWGADELN-UHFFFAOYSA-N Note:
O HCl O
O
Pharmacological Data (1) 1 of 1
Comment (Pharmacological Data)
Bioactivities present
Gandy, Michael N.; McIldowie, Matthew; Lewis, Katie; Wasik, Agata M.; Salomonczyk, Danielle; Wagg, Keith; Millar, Zak A.; Tindiglia, David; Huot, Philippe; Johnston, Tom; Thiele, Sherri; Nguyen, Blake; Barnes, Nicholas M.; Brotchie, Jonathan M.; Martin-Iverson, Mathew T.; Nash, Joanne; Gordon, John; Piggott, Matthew J.; MedChemComm; vol. 1; nb. 4; (2010); p. 287 - 293, View in Reaxys
Reaxys ID 3870643 View in Reaxys
4/4 Chemical Name: benzo[1,3]dioxol-5-yl-acetone; picrate; Benzo[1,3]dioxol-5-yl-aceton; Picrat Linear Structure Formula: C10H10O3*C6H3N3O7 Molecular Formula: C6H3N3O7*C10H10O3 Molecular Weight: 407.293 Type of Substance: heterocyclic InChI Key: FHVJMLINPCAJGW-UHFFFAOYSA-N Note:
O O
N O
HO
N O
O
N O O
O
O
Melting Point (1) 1 of 1
Melting Point [°C]
71 - 73
Mosettig; Jovanovic; Monatshefte fuer Chemie; vol. 53/54; (1929); p. 435, 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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2016-08-05 16:50:04