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173340-26-6

173340-26-6 Structure

173340-26-6 Structure
IdentificationBack Directory
[Name]

Carbamic acid, (3-pyrrolidinylmethyl)-, 1,1-dimethylethyl ester, (S)- (9CI)
[CAS]

173340-26-6
[Synonyms]

(S)-3-(Boc-aminomethyl)py...
(S)-tert-butyl pyrrolidin-3-ylmethylcarbamate
tert-butyl ((S)-pyrrolidin-3-yl)MethylcarbaMate
tert-butyl N-[(3S)-pyrrolidin-3-ylmethyl]carbamate
(S)-(3-Pyrrolidinylmethyl)-carbamic acid 1,1-dimethylethyl ester
Carbamic acid, N-[(3S)-3-pyrrolidinylmethyl]-, 1,1-dimethylethyl ester
Carbamic acid, (3-pyrrolidinylmethyl)-, 1,1-dimethylethyl ester, (S)- (9CI)
[Molecular Formula]

C10H20N2O2
[MDL Number]

MFCD06796616
[MOL File]

173340-26-6.mol
[Molecular Weight]

200.28
Chemical PropertiesBack Directory
[Boiling point ]

303.9±15.0 °C(Predicted)
[density ]

0.997
[storage temp. ]

Keep in dark place,Sealed in dry,2-8°C
[pka]

12.71±0.46(Predicted)
[Appearance]

Colorless to light yellow Liquid
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
[HS Code ]

2933998090
Spectrum DetailBack Directory
[Spectrum Detail]

Carbamic acid, (3-pyrrolidinylmethyl)-, 1,1-dimethylethyl ester, (S)- (9CI)(173340-26-6)1HNMR
Hazard InformationBack Directory
[Synthesis]

Carbamic acid, [[(3R)-1-[(1S)-1-phenylethyl]-3-pyrrolidinyl]methyl]-, 1,1-dimethylethyl ester (9CI)

173340-24-4

Carbamic acid, (3-pyrrolidinylmethyl)-, 1,1-dimethylethyl ester, (S)- (9CI)

173340-26-6

General procedure for the synthesis of (S)-3-N-Boc-aminomethylpyrrolidine from (3R)-1-[(1S)-1-phenylethyl]-3-pyrrolidinylmethyl]carbamic acid,1,1-dimethylethyl ester (9CI): tert-butyl [1-(1-phenylethyl)-pyrrolidin-3-ylmethyl]-carbamate (3.50 g, 11.5 mmol) was dissolved in methanol in methanol, 20% Pd/C catalyst was added and the hydrogenation reaction was carried out under hydrogen pressure of 50 psi.After 24 h, the reaction mixture was filtered and concentrated to afford 1.75 g (S)-3-N-Boc-aminomethylpyrrolidine (yield: 76%). Mass spectrometry analysis (APCI+): m/z 201 ([M+H]+).

[References]

[1] Patent: WO2005/49602, 2005, A1. Location in patent: Page/Page column 88; 89; 124
[2] Patent: WO2005/49605, 2005, A1. Location in patent: Page/Page column 116; 117; 152
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