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Dicyclohexylcarbodiimide → HCID 70058166, 화합물

HRID 1080919
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HRID 1080919 반응식
[NH2:1][C@@H:2]([CH2:19][C:20]1[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=1)[C@H:3]([OH:18])[CH2:4][C@@H:5]1[CH2:10][CH2:9][CH2:8][CH2:7][C@H:6]1[C:11]([NH:13][C:14]([CH3:17])([CH3:16])[CH3:15])=[O:12].[CH2:26]([O:33][C:34]([N:36](C#N)[C@H:37]([C:39]([OH:41])=O)[CH3:38])=[O:35])[C:27]1[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=1.O.OC1C2N=N[NH:51][C:50]=2C=CC=1.C1(N=C=NC2CCCCC2)CCCCC1>ClCCl.CN(C)C=O>[CH2:26]([O:33][C:34]([NH:36][C@H:37]([C:39]([NH:1][C@@H:2]([CH2:19][C:20]1[CH:21]=[CH:22][CH:23]=[CH:24][CH:25]=1)[C@H:3]([OH:18])[CH2:4][C@@H:5]1[CH2:10][CH2:9][CH2:8][CH2:7][C@H:6]1[C:11]([NH:13][C:14]([CH3:17])([CH3:16])[CH3:15])=[O:12])=[O:41])[CH2:38][C:50]#[N:51])=[O:35])[C:27]1[CH:28]=[CH:29][CH:30]=[CH:31][CH:32]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 4

HCID 10868DicyclohexylcarbodiimideHCID 53758257HCID 53758257, 화합물HCID 70049550HCID 70049550, 화합물HCID 178526939HCID 178526939, 화합물

생성물 1

HCID 70058166HCID 70058166, 화합물수율 51.3%

시약·촉매·용매 2

HCID 6228
Dimethylformamide
용매
HCID 6344Dichloromethane용매

실험 절차

A solution of 90mg (0.26 mmol) of 2(S)-[3(S)-amino-2(R)-hydroxy-4-phenylbutyl]-N-tert.butyl-1(R)-cyclohexanecarboxamide in 4 ml of dichloromethane was added to a mixture of 65 mg (0.26 mmol) of N-benzyloxycarbonyl-cyano-L-alanine, 35 mg (0.23 mmol) of hydroxybenzotriazole hydrate and 54 mg (0.26 mmol) of dicyclohexylcarbodiimide in 2 ml of dimethylformamide. The mixture-was stirred under nitrogen at room temperature for 18 hours and then filtered. The filtrate was evaporated and the residue was partitioned between 25 ml of ethyl acetate and 10 ml of saturated aqueous sodium hydrogen carbonate solution. The organic layer was dried over anhydrous magnesium sulphate and evaporated. The crude product was chromatographed on a column of silica gel using 3% methanol in dichloromethane for the elution and the product was purified further by crystallization from a mixture of 1 ml of dichloromethane and 10 ml of hexane. There were obtained 68 mg of 2(S)-[3(S)-[[N-(benzyloxycarbonyl)-3-cyano-L-alanyl]amino]-2(R)-hydroxy-4-phenylbutyl]-N-tert.butyl-1(R)-cyclohexanecarboxamide as a white solid; MS m/e 577 [M+H]+.

후처리

  1. filtrationfiltered
  2. customThe filtrate was evaporated
  3. customthe residue was partitioned between 25 ml of ethyl acetate and 10 ml of saturated aqueous sodium hydrogen carbonate solution
  4. dry with materialThe organic layer was dried over anhydrous magnesium sulphate
  5. customevaporated
  6. customThe crude product was chromatographed on a column of silica gel using 3% methanol in dichloromethane for the elution
  7. customthe product was purified further by crystallization from a mixture of 1 ml of dichloromethane and 10 ml of hexane

출처 및 근거

ORD 기록
ord-693b5c0b536e4693bf4f224dd1c28134
출처 데이터셋
uspto-grants-1996_12
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US05583248

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