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156046-05-8

156046-05-8 Structure

156046-05-8 Structure
IdentificationBack Directory
[Name]

Methyl (S)-4,4-difluoropyrrolidine-2-carboxylate hydrochloride
[CAS]

156046-05-8
[Synonyms]

HCl*Dfp-OMe
(S)-methyl 4,4-difluoropyrrolidine-2-carboxylate HCl
(2S)-4,4-difluoro-L-proline methyl ester hydrochloride
L-Proline, 4,4-difluoro-, methyl ester, hydrochloride (1:1)
Methyl (S)-4,4-difluoropyrrolidine-2-carboxylate hydrochloride
(S)-Methyl 4,4-difluoropyrrolidine-2-carboxylate hydrochloride
methyl (2S)-4,4-difluoropyrrolidine-2-carboxylate hydrochloride
[Molecular Formula]

C6H10ClF2NO2
[MDL Number]

MFCD23106100
[MOL File]

156046-05-8.mol
[Molecular Weight]

201.599
Chemical PropertiesBack Directory
[storage temp. ]

Inert atmosphere,Room Temperature
[Appearance]

White to off-white Solid
[Optical Rotation]

-10.9° (C=0.01 g/ml, H2O)
Safety DataBack Directory
[HS Code ]

2933998090
Spectrum DetailBack Directory
[Spectrum Detail]

Methyl (S)-4,4-difluoropyrrolidine-2-carboxylate hydrochloride(156046-05-8)1HNMR
Methyl (S)-4,4-difluoropyrrolidine-2-carboxylate hydrochloride(156046-05-8)1HNMR
Hazard InformationBack Directory
[Synthesis]

N-Boc-4,4-difluoro-L-proline methyl ester

203866-17-5

Methyl (S)-4,4-difluoropyrrolidine-2-carboxylate hydrochloride

156046-05-8

General procedure for the synthesis of (S)-4,4-difluoropyrrolidine-2-carboxylic acid methyl ester hydrochloride from N-BOC-4,4-difluoro-L-proline methyl ester: N-BOC-4,4-difluoro-L-proline methyl ester (3 g, 11.3 mmol) was mixed with EtOAc solution (15 mL) of 4 M HCl and the reaction was stirred at room temperature for 4 hours. After completion of the reaction, the mixture was concentrated in vacuum to afford methyl (S)-4,4-difluoropyrrolidine-2-carboxylate hydrochloride (2.27 g, 100% yield) as a white solid. The structure of the compound was confirmed by the following spectral data: MS-ESI: m/z 166.14 [M + H]+; 1H NMR (400 MHz, CDCl3): δ 4.70-4.69 (m, 1H), 3.75-3.87 (m, 2H), 3.71 (s, 3H), 2.91-3.00 (m, 1H), 2.70-2.81 (m, 1H).

[References]

[1] Patent: EP2730572, 2015, B1. Location in patent: Paragraph 0416; 0421
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