Query Query
Results
Date
NH N
8 substances in Re2015-12-27 21h:41m:24s (EST) axys
1. Query
Search as: As drawn 2. Query
(1. Query) AND itemno in (1,2,3,4,5)
Copyright © 2015 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.
1/11
5 substances in Re2015-12-27 21h:47m:02s (EST) axys
2015-12-27 21:56:14
Reaxys ID 4249535 View in Reaxys
1/5 CAS Registry Number: 116508-51-1 Chemical Name: (1S)-N-methyl-1-phenyl-2-(pyrrolidin-1yl)ethanamine; (S)-N-methyl-1-phenyl-2-(pyrrolidin-1-yl)ethanamine; (S)-N-methyl-1-phenyl-2-(1-pyrrolidinyl) ethanamine; (S)N-methyl-1-phenyl-2-(1-pyrrolidinyl)-ethanamine; methyl-[1-(S)phenyl-2-pyrrolidin-1-yl-ethyl]-amine; (S)-N-methyl-1-phenyl-2(1-pyrrolidinyl)ethanamine Linear Structure Formula: C13H20N2 Molecular Formula: C13H20N2 Molecular Weight: 204.315 Type of Substance: heterocyclic InChI Key: ZINZYRWMDNKTBY-CYBMUJFWSA-N Note:
H N
N
Substance Label (7) Label References (S)-4
Kumar, Virendra; Guo, Deqi; Daubert, Jeffrey D.; Cassel, Joel A.; DeHaven, Robert N.; Mansson, Erik; DeHaven-Hudkins, Diane L.; Maycock, Alan L.; Bioorganic and Medicinal Chemistry Letters; vol. 15; nb. 5; (2005); p. 1279 - 1282, View in Reaxys
7
Kumar, Virendra; Guo, Deqi; Cassel, Joel A.; Daubert, Jeffrey D.; DeHaven, Robert N.; DeHaven-Hudkins, Diane L.; Gauntner, Erin K.; Gottshall, Susan L.; Greiner, Susan L.; Koblish, Michael; Little, Patrick J.; Mansson, Erik; Maycock, Alan L.; Bioorganic and Medicinal Chemistry Letters; vol. 15; nb. 4; (2005); p. 1091 - 1095, View in Reaxys
28
Le Bourdonnec, Bertrand; Ajello, Christopher W.; Seida, Pamela R.; Susnow, Roberta G.; Cassel, Joel A.; Belanger, Serge; Stabley, Gabriel J.; DeHaven, Robert N.; DeHaven-Hudkins, Diane L.; Dolle, Roland E.; Bioorganic and Medicinal Chemistry Letters; vol. 15; nb. 10; (2005); p. 2647 - 2652, View in Reaxys
A
Patent; Le Bourdonnec, Bertrand; Ajello, Christopher William; Dolle, Roland E.; US2004/254156; (2004); (A1) English, View in Reaxys
11
Tsuritani, Natsuko; Yamada, Ken-Ichi; Yoshikawa, Naoki; Shibasaki, Masakatsu; Chemistry Letters; nb. 3; (2002); p. 276 - 277, View in Reaxys
1a
Saravanan; Bisai, Alakesh; Baktharaman; Chandrasekhar; Singh, Vinod K; Tetrahedron; vol. 58; nb. 23; (2002); p. 4693 - 4706, View in Reaxys
3
Kumar, Virendra; Marella, Michael A.; Cortes-Burgos, Luz; Chang, An-Chih; Cassel, Joel A.; Daubert, Jeffrey D.; DeHaven, Robert N.; DeHaven-Hudkins, Diane L.; Gottshall, Susan L.; Mansson, Erik; Maycock, Alan L.; Bioorganic and Medicinal Chemistry Letters; vol. 10; nb. 22; (2000); p. 2567 - 2570, View in Reaxys
Boiling Point (1) Boiling Point [°C] 118
Pressure (Boiling Point) [Torr]
References
1
Saravanan; Bisai, Alakesh; Baktharaman; Chandrasekhar; Singh, Vinod K; Tetrahedron; vol. 58; nb. 23; (2002); p. 4693 - 4706, View in Reaxys
Crystal Property Description (1) Colour & Other References Properties yellow
Saravanan; Bisai, Alakesh; Baktharaman; Chandrasekhar; Singh, Vinod K; Tetrahedron; vol. 58; nb. 23; (2002); p. 4693 - 4706, View in Reaxys
Optical Rotatory Power (7) 1 of 7
Type (Optical Rotatory Power)
[alpha]
Concentration (Optical Rotatory Power)
5.5 g/100ml
Solvent (Optical Rotatory Power)
CHCl3
Optical Rotatory Power [deg]
82.5
Wavelength (Optical Ro- 589 tatory Power) [nm]
Copyright © 2015 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.
2/11
2015-12-27 21:56:14
Temperature (Optical Rotatory Power) [°C]
25
Saravanan; Bisai, Alakesh; Baktharaman; Chandrasekhar; Singh, Vinod K; Tetrahedron; vol. 58; nb. 23; (2002); p. 4693 - 4706, View in Reaxys 2 of 7
Type (Optical Rotatory Power)
[alpha]
Concentration (Optical Rotatory Power)
5.5 g/100ml
Solvent (Optical Rotatory Power)
CHCl3
Optical Rotatory Power [deg]
82.5
Wavelength (Optical Ro- 589 tatory Power) [nm] Saravanan, Parthasarathy; Singh, Vinod K.; Tetrahedron Letters; vol. 39; nb. 1-2; (1998); p. 167 - 170, View in Reaxys 3 of 7
Type (Optical Rotatory Power)
[alpha]
Solvent (Optical Rotatory Power)
ethanol
Optical Rotatory Power [deg]
61.7
Wavelength (Optical Ro- 589 tatory Power) [nm] Temperature (Optical Rotatory Power) [°C]
20
De Sousa, Simon E.; O'Brien, Peter; Poumellec, Pierre; Journal of the Chemical Society - Perkin Transactions 1; nb. 9; (1998); p. 1483 - 1492, View in Reaxys 4 of 7
Type (Optical Rotatory Power)
[alpha]
Concentration (Optical Rotatory Power)
1.2 g/100ml
Solvent (Optical Rotatory Power)
ethanol
Optical Rotatory Power [deg]
61.7
Wavelength (Optical Ro- 589 tatory Power) [nm] Temperature (Optical Rotatory Power) [°C]
20
De Sousa, Simon E.; O'Brien, Peter; Poumellec, Pierre; Tetrahedron Asymmetry; vol. 8; nb. 15; (1997); p. 2613 2618, View in Reaxys 5 of 7
Type (Optical Rotatory Power)
[alpha]
Concentration (Optical Rotatory Power)
1.4 g/100ml
Solvent (Optical Rotatory Power)
ethanol
Optical Rotatory Power [deg]
60.1
Wavelength (Optical Ro- 589 tatory Power) [nm]
Copyright © 2015 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.
3/11
2015-12-27 21:56:14
Temperature (Optical Rotatory Power) [°C]
20
De Sousa, Simon E.; O'Brien, Peter; Poumellec, Pierre; Tetrahedron Asymmetry; vol. 8; nb. 15; (1997); p. 2613 2618, View in Reaxys 6 of 7
Type (Optical Rotatory Power)
[alpha]
Concentration (Optical Rotatory Power)
1.2 g/100ml
Solvent (Optical Rotatory Power)
ethanol
Optical Rotatory Power [deg]
61.7
Wavelength (Optical Ro- 589 tatory Power) [nm] De Sousa, Simon E.; O'Brien, Peter; Tetrahedron Letters; vol. 38; nb. 27; (1997); p. 4885 - 4888, View in Reaxys 7 of 7
Type (Optical Rotatory Power)
[alpha]
Concentration (Optical Rotatory Power)
1.8 g/100ml
Solvent (Optical Rotatory Power)
ethanol
Optical Rotatory Power [deg]
50.58
Wavelength (Optical Ro- 589 tatory Power) [nm] Temperature (Optical Rotatory Power) [°C]
25
Bhuniya; Singh; Synthetic Communications; vol. 24; nb. 10; (1994); p. 1475 - 1481, View in Reaxys NMR Spectroscopy (4) 1 of 4
Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- dimethylsulfoxide-d6 scopy) Frequency (NMR Spectroscopy) [MHz]
400
Location
Page/Page column 29
Comment (NMR Spectroscopy)
Signals given
Patent; DR. REDDY'S LABORATORIES LTD.; DR. REDDY'S LABORATORIES, INC.; SASMAL, Pradip Kumar; CHINTAKUNTA, Vamsee Krishna; POTLURI, Vijay; KHANNA, Ish Kumar; TEHIM, Ashok; JALEEL, Mahaboobi; HOGBERG, Thomas; RIST, Oystein; ELSTER, Lisbeth; FRIMURER, Thomas Michael; GERLACH, Lars-Ole; WO2012/12410; (2012); (A2) English, View in Reaxys 2 of 4
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- CDCl3 scopy) Rossiter, Bryant E.; Eguchi, Masakatsu; Miao, Guobin; Swingle, Nicole M.; Hernandez, Amelia E.; Vickers, Denise; Fluckiger, Ezdan; Greg Patterson; Vasavi Reddy; Tetrahedron; vol. 49; nb. 5; (1993); p. 965 - 986, View in Reaxys; Bhuniya; Singh; Synthetic Communications; vol. 24; nb. 10; (1994); p. 1475 - 1481, View in Reaxys
Copyright © 2015 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.
4/11
2015-12-27 21:56:14
3 of 4
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- CDCl3 scopy) Bhuniya; Singh; Synthetic Communications; vol. 24; nb. 10; (1994); p. 1475 - 1481, View in Reaxys 4 of 4
Description (NMR Spec- Spin-spin coupling constants troscopy) Solvents (NMR Spectro- CDCl3 scopy) Comment (NMR Spectroscopy)
1H-1H
Bhuniya; Singh; Synthetic Communications; vol. 24; nb. 10; (1994); p. 1475 - 1481, View in Reaxys IR Spectroscopy (2) 1 of 2
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
neat (no solvent)
Comment (IR Spectroscopy)
3380 - 2880 cm**(-1)
Bhuniya; Singh; Synthetic Communications; vol. 24; nb. 10; (1994); p. 1475 - 1481, View in Reaxys 2 of 2
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
neat (no solvent)
Comment (IR Spectroscopy)
3325 cm**(-1)
Rossiter, Bryant E.; Eguchi, Masakatsu; Miao, Guobin; Swingle, Nicole M.; Hernandez, Amelia E.; Vickers, Denise; Fluckiger, Ezdan; Greg Patterson; Vasavi Reddy; Tetrahedron; vol. 49; nb. 5; (1993); p. 965 - 986, View in Reaxys
Reaxys ID 4842022 View in Reaxys
2/5 CAS Registry Number: 136329-39-0 Chemical Name: (R)-N-methyl-1-phenyl-2-(pyrrolidin-1yl)ethanamine; (R)-N-methyl-1-phenyl-2-(1-pyrrolidinyl)ethanamine; (R)-methyl-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-amine; Nmethyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]amine; (R)-methyl-(1-phenyl-2-pyrrolidin-1-yl-ethyl)amine; (R)MeNHCH(Ph)CH2N(C4H8) Linear Structure Formula: CH3NHCH(C6H5)CH2NC4H8 Molecular Formula: C13H20N2 Molecular Weight: 204.315 Type of Substance: heterocyclic InChI Key: ZINZYRWMDNKTBY-ZDUSSCGKSA-N Note:
H N
N
Optical Rotatory Power (3) 1 of 3
Type (Optical Rotatory Power)
[alpha]
Concentration (Optical Rotatory Power)
1.7 g/100ml
Solvent (Optical Rotatory Power)
ethanol
Copyright © 2015 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.
5/11
2015-12-27 21:56:14
Optical Rotatory Power [deg]
-65.4
Wavelength (Optical Ro- 589 tatory Power) [nm] Temperature (Optical Rotatory Power) [°C]
20
De Sousa, Simon E.; O'Brien, Peter; Poumellec, Pierre; Tetrahedron Asymmetry; vol. 8; nb. 15; (1997); p. 2613 2618, View in Reaxys; De Sousa, Simon E.; O'Brien, Peter; Poumellec, Pierre; Journal of the Chemical Society Perkin Transactions 1; nb. 9; (1998); p. 1483 - 1492, View in Reaxys 2 of 3
Type (Optical Rotatory Power)
[alpha]
Concentration (Optical Rotatory Power)
1.4 g/100ml
Solvent (Optical Rotatory Power)
ethanol
Optical Rotatory Power [deg]
-64
Wavelength (Optical Ro- 589 tatory Power) [nm] Temperature (Optical Rotatory Power) [°C]
25
Bhuniya, Debnath; Gupta, Arpita Datta; Singh, Vinod K.; Tetrahedron Letters; vol. 36; nb. 16; (1995); p. 2847 2850, View in Reaxys; Bhuniya, Debnath; DattaGupta, Arpita; Singh, Vinod K.; Journal of Organic Chemistry; vol. 61; nb. 18; (1996); p. 6108 - 6113, View in Reaxys 3 of 3
Type (Optical Rotatory Power)
[alpha]
Concentration (Optical Rotatory Power)
1.4 g/100ml
Solvent (Optical Rotatory Power)
ethanol
Optical Rotatory Power [deg]
-65.4
Wavelength (Optical Ro- 589 tatory Power) [nm] O'Brien, Peter; Poumellec, Pierre; Tetrahedron Letters; vol. 37; nb. 31; (1996); p. 5619 - 5622, View in Reaxys NMR Spectroscopy (3) 1 of 3
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- CDCl3 scopy) Bhuniya, Debnath; DattaGupta, Arpita; Singh, Vinod K.; Journal of Organic Chemistry; vol. 61; nb. 18; (1996); p. 6108 - 6113, View in Reaxys; De Sousa, Simon E.; O'Brien, Peter; Poumellec, Pierre; Tetrahedron Asymmetry; vol. 8; nb. 15; (1997); p. 2613 - 2618, View in Reaxys 2 of 3
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- CDCl3 scopy) Bhuniya, Debnath; DattaGupta, Arpita; Singh, Vinod K.; Journal of Organic Chemistry; vol. 61; nb. 18; (1996); p. 6108 - 6113, View in Reaxys; De Sousa, Simon E.; O'Brien, Peter; Poumellec, Pierre; Tetrahedron Asymmetry; vol. 8; nb. 15; (1997); p. 2613 - 2618, View in Reaxys
Copyright © 2015 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.
6/11
2015-12-27 21:56:14
3 of 3
Description (NMR Spec- Spin-spin coupling constants troscopy) Solvents (NMR Spectro- CDCl3 scopy) Comment (NMR Spectroscopy)
1H-1H
Bhuniya, Debnath; DattaGupta, Arpita; Singh, Vinod K.; Journal of Organic Chemistry; vol. 61; nb. 18; (1996); p. 6108 - 6113, View in Reaxys; De Sousa, Simon E.; O'Brien, Peter; Poumellec, Pierre; Tetrahedron Asymmetry; vol. 8; nb. 15; (1997); p. 2613 - 2618, View in Reaxys IR Spectroscopy (2) 1 of 2
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
neat (no solvent)
Comment (IR Spectroscopy)
3325 - 702 cm**(-1)
De Sousa, Simon E.; O'Brien, Peter; Poumellec, Pierre; Tetrahedron Asymmetry; vol. 8; nb. 15; (1997); p. 2613 2618, View in Reaxys 2 of 2
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
neat (no solvent)
Comment (IR Spectroscopy)
3380 - 2880 cm**(-1)
Bhuniya, Debnath; DattaGupta, Arpita; Singh, Vinod K.; Journal of Organic Chemistry; vol. 61; nb. 18; (1996); p. 6108 - 6113, View in Reaxys Mass Spectrometry (1) Description (Mass References Spectrometry) spectrum; chemical ionization (CI)
De Sousa, Simon E.; O'Brien, Peter; Poumellec, Pierre; Tetrahedron Asymmetry; vol. 8; nb. 15; (1997); p. 2613 - 2618, View in Reaxys
Use (1) Laboratory Use and Handling
References
application in enantioselective deprotonation of epoxides
Bhuniya, Debnath; DattaGupta, Arpita; Singh, Vinod K.; Journal of Organic Chemistry; vol. 61; nb. 18; (1996); p. 6108 - 6113, View in Reaxys
Reaxys ID 4842021 View in Reaxys
3/5 CAS Registry Number: 130110-09-7 Chemical Name: N-methyl-1-phenyl-2-(pyrrolidin-1-yl)ethan-1amine; methyl-[1-(S)-phenyl-2-pyrrolidin-1-yl-ethyl]-amine; racN-methyl-1-phenyl-2-(pyrrolidin-1-yl)ethanamine; methyl-(1-phenyl-2-pyrrolidin-1-yl-ethyl)amine Linear Structure Formula: C13H20N2 Molecular Formula: C13H20N2 Molecular Weight: 204.315 Type of Substance: heterocyclic InChI Key: ZINZYRWMDNKTBY-UHFFFAOYSA-N Note:
H N
N
Substance Label (3) Label References
Copyright © 2015 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.
7/11
2015-12-27 21:56:14
16
Fujii, Shintaro; Konishi, Takehito; Matsumoto, Yusuke; Yamaoka, Yousuke; Takasu, Kiyosei; Yamada, Ken-Ichi; Journal of Organic Chemistry; vol. 79; nb. 17; (2014); p. 8128 - 8133, View in Reaxys
6a
Pinna, G. A.; Gavini, E.; Cignarella, G.; Scolastico, S.; Fadda, P.; European Journal of Medicinal Chemistry; vol. 30; nb. 6; (1995); p. 515 - 520, View in Reaxys
4 (Ph, 1-pyrrolidin- Barlow, Jeffrey J.; Blackburn, Thomas P.; Costello, Gerard F.; James, Roger; Count, David J. Le; et al.; yl) Journal of Medicinal Chemistry; vol. 34; nb. 11; (1991); p. 3149 - 3158, View in Reaxys Boiling Point (1) Boiling Point [°C] 95
Pressure (Boiling Point) [Torr]
References
0.002
Pinna, G. A.; Gavini, E.; Cignarella, G.; Scolastico, S.; Fadda, P.; European Journal of Medicinal Chemistry; vol. 30; nb. 6; (1995); p. 515 - 520, View in Reaxys
Crystal Property Description (1) Colour & Other References Properties colourless
Fujii, Shintaro; Konishi, Takehito; Matsumoto, Yusuke; Yamaoka, Yousuke; Takasu, Kiyosei; Yamada, Ken-Ichi; Journal of Organic Chemistry; vol. 79; nb. 17; (2014); p. 8128 - 8133, View in Reaxys
NMR Spectroscopy (3) 1 of 3
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
500
Location
supporting information
Fujii, Shintaro; Konishi, Takehito; Matsumoto, Yusuke; Yamaoka, Yousuke; Takasu, Kiyosei; Yamada, KenIchi; Journal of Organic Chemistry; vol. 79; nb. 17; (2014); p. 8128 - 8133, View in Reaxys 2 of 3
Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
125
Location
supporting information
Fujii, Shintaro; Konishi, Takehito; Matsumoto, Yusuke; Yamaoka, Yousuke; Takasu, Kiyosei; Yamada, KenIchi; Journal of Organic Chemistry; vol. 79; nb. 17; (2014); p. 8128 - 8133, View in Reaxys 3 of 3
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- CDCl3 scopy) Pinna, G. A.; Gavini, E.; Cignarella, G.; Scolastico, S.; Fadda, P.; European Journal of Medicinal Chemistry; vol. 30; nb. 6; (1995); p. 515 - 520, View in Reaxys IR Spectroscopy (2) 1 of 2
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
neat liquid
Fujii, Shintaro; Konishi, Takehito; Matsumoto, Yusuke; Yamaoka, Yousuke; Takasu, Kiyosei; Yamada, KenIchi; Journal of Organic Chemistry; vol. 79; nb. 17; (2014); p. 8128 - 8133, View in Reaxys
Copyright © 2015 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.
8/11
2015-12-27 21:56:14
2 of 2
Description (IR Spectroscopy)
Bands
Solvent (IR Spectroscopy)
nujol
Comment (IR Spectroscopy)
3320 cm**(-1)
Pinna, G. A.; Gavini, E.; Cignarella, G.; Scolastico, S.; Fadda, P.; European Journal of Medicinal Chemistry; vol. 30; nb. 6; (1995); p. 515 - 520, View in Reaxys Mass Spectrometry (3) Description (Mass Comment (Mass Spectrometry) Spectrometry)
References
electrospray ionisation (ESI); timeof-flight mass spectra (TOFMS); spectrum
Fujii, Shintaro; Konishi, Takehito; Matsumoto, Yusuke; Yamaoka, Yousuke; Takasu, Kiyosei; Yamada, Ken-Ichi; Journal of Organic Chemistry; vol. 79; nb. 17; (2014); p. 8128 - 8133, View in Reaxys
high resolution mass spectrometry (HRMS); electrospray ionisation (ESI); time-offlight mass spectra (TOFMS); spectrum
Fujii, Shintaro; Konishi, Takehito; Matsumoto, Yusuke; Yamaoka, Yousuke; Takasu, Kiyosei; Yamada, Ken-Ichi; Journal of Organic Chemistry; vol. 79; nb. 17; (2014); p. 8128 - 8133, View in Reaxys
LCMS (Liquid chromatography mass spectrometry)
Molecular peak
Patent; GRAFFINITY PHARMACEUTICALS AG; WO2005/95343; (2005); (A1) English, View in Reaxys
Pharmacological Data (1) 1 of 1
Comment (Pharmacological Data)
Bioactivities present
Patent; Warner-Lambert Company; US6133307; (2000); (A1) English, View in Reaxys; Barlow, Jeffrey J.; Blackburn, Thomas P.; Costello, Gerard F.; James, Roger; Count, David J. Le; et al.; Journal of Medicinal Chemistry; vol. 34; nb. 11; (1991); p. 3149 - 3158, View in Reaxys; Pinna, G. A.; Gavini, E.; Cignarella, G.; Scolastico, S.; Fadda, P.; European Journal of Medicinal Chemistry; vol. 30; nb. 6; (1995); p. 515 - 520, View in Reaxys; Patent; GRAFFINITY PHARMACEUTICALS AG; WO2005/95343; (2005); (A1) English, View in Reaxys; Fujii, Shintaro; Konishi, Takehito; Matsumoto, Yusuke; Yamaoka, Yousuke; Takasu, Kiyosei; Yamada, Ken-Ichi; Journal of Organic Chemistry; vol. 79; nb. 17; (2014); p. 8128 - 8133, View in Reaxys
Reaxys ID 8670891 View in Reaxys
4/5 Chemical Name: Lithium (S)-methyl(1-phenyl-2-pyrrolidinoethyl)[15N]amide Linear Structure Formula: C13H19 (6)LiN(15)N*C H N(15)N(1-)*(6)Li(1+) 13 19 Molecular Formula: 2C13H19N2*.2(6)Li Molecular Weight: 420.601 Type of Substance: heterocyclic InChI Key: KULAEKMWTDZTPD-ORRHMEFESA-N Note:
2 N 15 –
2 6Li+
N
Substance Label (1) Label References 1
Arvidsson, Per I.; Davidsson, Oejvind; Angewandte Chemie (International Edition in English); vol. 39; nb. 8; (2000); p. X1467-1470, View in Reaxys
Conformation (1) Object of Investi- References gation
Copyright © 2015 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.
9/11
2015-12-27 21:56:14
The author investigated the; Conformation
Arvidsson, Per I.; Davidsson, Oejvind; Angewandte Chemie (International Edition in English); vol. 39; nb. 8; (2000); p. X1467-1470, View in Reaxys
NMR Spectroscopy (4) 1 of 4
Description (NMR Spec- Spectrum troscopy) Nucleus (NMR Spectroscopy)
6Li
Solvents (NMR Spectro- various solvent(s) scopy) Temperature (NMR Spectroscopy) [°C]
-90
Arvidsson, Per I.; Davidsson, Oejvind; Angewandte Chemie (International Edition in English); vol. 39; nb. 8; (2000); p. X1467-1470, View in Reaxys 2 of 4
Description (NMR Spec- Linewidth of NMR absorption troscopy) Nucleus (NMR Spectroscopy)
6Li
Arvidsson, Per I.; Davidsson, Oejvind; Angewandte Chemie (International Edition in English); vol. 39; nb. 8; (2000); p. X1467-1470, View in Reaxys 3 of 4
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
6Li
Solvents (NMR Spectro- various solvent(s) scopy) Temperature (NMR Spectroscopy) [°C]
-90
Arvidsson, Per I.; Davidsson, Oejvind; Angewandte Chemie (International Edition in English); vol. 39; nb. 8; (2000); p. X1467-1470, View in Reaxys 4 of 4
Nucleus (NMR Spectroscopy)
6Li
Coupling Nuclei
15N
Solvents (NMR Spectro- various solvent(s) scopy) Temperature (NMR Spectroscopy) [°C]
-90
Arvidsson, Per I.; Davidsson, Oejvind; Angewandte Chemie (International Edition in English); vol. 39; nb. 8; (2000); p. X1467-1470, View in Reaxys
Reaxys ID 8837094 View in Reaxys
5/5 Chemical Name: (S)-Methyl(1-phenyl-2-pyrrolidinoethyl) [15N]amine Linear Structure Formula: C13H20N(15)N Molecular Formula: C13H20N2 Molecular Weight: 205.309 Type of Substance: heterocyclic InChI Key: ZINZYRWMDNKTBY-MEZWDKRCSA-N Note:
H
15N
N
Substance Label (1) Label References
Copyright © 2015 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.
10/11
2015-12-27 21:56:14
1
Johansson, Anna; Davidsson, Oejvind; Chemistry - A European Journal; vol. 7; nb. 16; (2001); p. 3461 3465, View in Reaxys
Association (MCS) (2) 1 of 2
Description (Association NMR spectrum of the complex (MCS)) Solvent (Association (MCS))
various solvent(s)
Temperature (Association (MCS)) [°C]
-90
Partner (Association (MCS))
n-butyl-sodium
Johansson, Anna; Davidsson, Oejvind; Chemistry - A European Journal; vol. 7; nb. 16; (2001); p. 3461 - 3465, View in Reaxys 2 of 2
Description (Association NMR spectrum of the complex (MCS)) Solvent (Association (MCS))
various solvent(s)
Temperature (Association (MCS)) [°C]
-90
Partner (Association (MCS))
n-butyl-sodium; n-butyllithium
Johansson, Anna; Davidsson, Oejvind; Chemistry - A European Journal; vol. 7; nb. 16; (2001); p. 3461 - 3465, View in Reaxys
Copyright © 2015 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.
11/11
2015-12-27 21:56:14