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Ethyl Acetate → N-(3-chloro-4-cyanophenyl)-3-cyclopropylalanine

HRID 1173656
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HRID 1173656 반응식
[Cl:1][C:2]1[CH:9]=[C:8](F)[CH:7]=[CH:6][C:3]=1[C:4]#[N:5].[CH:11]1([CH2:14][C@@H:15]([C:17]([OH:19])=[O:18])[NH2:16])[CH2:13][CH2:12]1.C(=O)([O-])[O-].[Cs+].[Cs+].C(OCC)(=O)C>CS(C)=O>[Cl:1][C:2]1[CH:9]=[C:8]([NH:16][C@H:15]([C:17]([OH:19])=[O:18])[CH2:14][CH:11]2[CH2:13][CH2:12]2)[CH:7]=[CH:6][C:3]=1[C:4]#[N:5]
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참가 물질

6

반응물 4

HCID 8857Ethyl AcetateHCID 10796Cesium carbonateHCID 1090002-Chloro-4-fluorobenzonitrileHCID 6951383(2S)-2-amino-3-cyclopropylpropanoic acid

생성물 1

HCID 67105808N-(3-chloro-4-cyanophenyl)-3-cyclopropylalanine수율 100%

시약·촉매·용매 1

HCID 679
Dimethyl Sulfoxide
용매

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온도
90 °C

실험 절차

To a solution of 2-chloro-4-fluorobenzonitrile (1.33 g) in dimethyl sulfoxide (20 mL) were added 3-cyclopropyl-L-alanine (1.00 g) and cesium carbonate (3.28 g), and the mixture was stirred at 90° C. overnight. After allowing to room temperature, ethyl acetate was added, and the mixture was extracted twice with saturated aqueous sodium hydrogen carbonate solution. The aqueous layers were combined, and acidified with citric acid, and the mixture was extracted twice with ethyl acetate. The organic layers were combined, washed with saturated brine, and dried over magnesium sulfate. The solvent was evaporated under reduced pressure to give the title compound as a brown oil (yield: 2.05 g, 100%).

후처리

  1. customAfter allowing to room temperature
  2. extractionthe mixture was extracted twice with saturated aqueous sodium hydrogen carbonate solution
  3. extractionthe mixture was extracted twice with ethyl acetate
  4. washwashed with saturated brine
  5. dry with materialdried over magnesium sulfate
  6. customThe solvent was evaporated under reduced pressure

출처 및 근거

ORD 기록
ord-fbfa83364bdf4eb383edf8dcfcca6fb3
출처 데이터셋
uspto-grants-2010_11
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07834051B2

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