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Trifluoroacetic acid → methyl (3R,4S)-4-allyl-3-[(trifluoroacetyl)amino]pyrrolidine-3-carboxylate trifluoroacetate

HRID 590734
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HRID 590734 반응식
[CH2:1]([C@H:4]1[CH2:8][N:7](C(OC(C)(C)C)=O)[CH2:6][C@@:5]1([NH:20][C:21](=[O:26])[C:22]([F:25])([F:24])[F:23])[C:16]([O:18][CH3:19])=[O:17])[CH:2]=[CH2:3].[F:27][C:28]([F:33])([F:32])[C:29]([OH:31])=[O:30]>C(Cl)Cl>[F:27][C:28]([F:33])([F:32])[C:29]([OH:31])=[O:30].[CH2:1]([C@H:4]1[CH2:8][NH:7][CH2:6][C@@:5]1([NH:20][C:21](=[O:26])[C:22]([F:23])([F:24])[F:25])[C:16]([O:18][CH3:19])=[O:17])[CH:2]=[CH2:3]
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참가 물질

4

반응물 2

HCID 6422Trifluoroacetic acidHCID 86665791HCID 86665791, 화합물

생성물 1

HCID 86665789methyl (3R,4S)-4-allyl-3-[(trifluoroacetyl)amino]pyrrolidine-3-carboxylate trifluoroacetate

시약·촉매·용매 1

HCID 6344Dichloromethane용매

실험 절차

While under nitrogen, a solution of racemic 1-tert-butyl 3-methyl (3R,4S)-4-allyl-3-[(trifluoroacetyl)amino]pyrrolidine-1,3-dicarboxylate (Step 3, 0.207 g, 0.544 mmol) in methylene chloride (11 mL) was treated with trifluoroacetic acid (838 uL, 10.9 mmol). After stirring for 2 h, the mixture was concentrated and dried under high vacuum overnight to give methyl (3R,4S)-4-allyl-3-[(trifluoroacetyl)amino]pyrrolidine-3-carboxylate trifluoroacetate as a faint yellow foam that was used without further purification. A stirred solution of this intermediate in dry methylene chloride (11 mL) under nitrogen was treated with Et3N (0.341 mL, 2.45 mmol) followed by 4-fluorobenzoyl chloride (0.0979 mL, 0.816 mmol). After stirring at room temperature for 1.5 h, the solution was diluted with methylene chloride (15 mL), washed successively with water (10 mL), saturated aqueous NaHCO3 (10 mL) and saturated aqueous sodium chloride (5 mL). The resulting organic phase was dried over Na2SO4 and concentrated, and purification by radial chromatography (2000 micron silica gel rotor, 40-75% ethyl acetate in hexanes) to give methyl (3R,4S)-4-allyl-1-(4-fluorobenzoyl)-3-[(trifluoroacetyl)amino]-pyrrolidine-3-carboxylate (racemic) (220 mg, 100%) as a faint yellow film. Rf=0.33 (50% Ethyl acetate in hexanes). For intermediate pyrrolidine trifluoroacetate, LC-MS ESI+ MS found for C11H15F3N2O3 m/z 281.1 (M+H). For amide product, LC-MS ESI− MS found for C18H18F4N2O4 m/z 401.1 (M−H).

후처리

  1. concentrationthe mixture was concentrated
  2. customdried under high vacuum overnight

출처 및 근거

ORD 기록
ord-42e403c9da7e4af88b1ed0da7b8efcf8
출처 데이터셋
uspto-grants-2016_01
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09233985B2

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