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Dichloromethane → (3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carboxylic acid hydrochloride

HRID 1178879
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HRID 1178879 반응식
FC(F)(F)C(O)=O.[C:8]([N:12]([CH2:18]OC)[CH2:13][Si](C)(C)C)([CH3:11])([CH3:10])[CH3:9].[F:21][C:22]1[CH:27]=[C:26]([F:28])[CH:25]=[CH:24][C:23]=1/[CH:29]=[CH:30]/[C:31]([O:33]C)=[O:32].C(=O)(O)[O-].[Na+].C(Cl)[Cl:41]>>[ClH:41].[C:8]([N:12]1[CH2:13][C@@H:29]([C:23]2[CH:24]=[CH:25][C:26]([F:28])=[CH:27][C:22]=2[F:21])[C@H:30]([C:31]([OH:33])=[O:32])[CH2:18]1)([CH3:9])([CH3:10])[CH3:11]
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참가 물질

6

반응물 5

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 516892Sodium BicarbonateHCID 15276473Methyl 3-(2,4-difluorophenyl)acrylateHCID 22228418N-tert-Butyl-N-(methoxymethyl)-N-(trimethylsilylmethyl)amine

생성물 1

HCID 67212109(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carboxylic acid hydrochloride

실험 절차

Trifluoroacetic acid (116 μL, 1.51 mmol) was added to a solution of N-tert-butyl-N-(methoxymethyl)-N-(trimethylsilylmethyl)amine from Step B (3.07 g, 15.1 mmol) and methyl (2E)-3-(2,4-difluorophenyl)prop-2-enoate (2.99 g, 15.1 mmol) in methylene chloride (60 mL) at ambient temperature. After 18 h, the reaction mixture was poured into saturated aqueous sodium bicarbonate and extracted three times with methlene chloride. The combined organic extracs were washed with brine, dried (Na2SO4) and concentrated in vacuo. Purification of the residue by normal phase medium pressure liquid chromatography on silica gel (gradient elution; 0-9% methanol (containing 10% v/v ammonium hydroxide)/methylene chloride as eluent) gave the racemic title compound as a colorless liquid. The racemic titled compound was resolved into its enantiomeric components using preparative chiral high pressure liquid chromatography on CHIRALPAK AD Phase (5% isopropanol/heptanes as eluent) to give in order of elution: methyl (3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carboxylate enantiomer of the titled compound as a colorless oil followed by the methyl (3R,4S)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carboxylate enantiomer of the title compound as a colorless oil.

후처리

  1. extractionextracted three times with methlene chloride
  2. washThe combined organic extracs were washed with brine
  3. dry with materialdried (Na2SO4)
  4. concentrationconcentrated in vacuo
  5. customPurification of the residue by normal phase medium pressure liquid chromatography on silica gel (gradient elution; 0-9% methanol (containing 10% v/v ammonium hydroxide)/methylene chloride as eluent)

출처 및 근거

ORD 기록
ord-b765fd2b38184dd5820a5dae5abfee24
출처 데이터셋
uspto-grants-2007_10
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07276520B2

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