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5-Chloro-1H-indole-2-carboxylic acid → HCID 44450722, 화합물

HRID 651136
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HRID 651136 반응식
Cl.[NH2:2][C@@H:3]([CH2:13][C:14]1[CH:19]=[CH:18][C:17]([OH:20])=[CH:16][CH:15]=1)[C:4]([N:6]1[CH2:11][CH2:10][CH:9]([OH:12])[CH2:8][CH2:7]1)=[O:5].[Cl:21][C:22]1[CH:23]=[C:24]2[C:28](=[CH:29][CH:30]=1)[NH:27][C:26]([C:31](O)=[O:32])=[CH:25]2>C(OCC)(=O)C>[OH:20][C:17]1[CH:16]=[CH:15][C:14]([CH2:13][C@H:3]([NH:2][C:31]([C:26]2[NH:27][C:28]3[C:24]([CH:25]=2)=[CH:23][C:22]([Cl:21])=[CH:30][CH:29]=3)=[O:32])[C:4]([N:6]2[CH2:7][CH2:8][CH:9]([OH:12])[CH2:10][CH2:11]2)=[O:5])=[CH:19][CH:18]=1
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참가 물질

4

반응물 2

HCID 826935-Chloro-1H-indole-2-carboxylic acidHCID 69688232HCID 69688232, 화합물

생성물 1

HCID 44450722HCID 44450722, 화합물

시약·촉매·용매 1

HCID 8857Ethyl Acetate용매

실험 절차

(S)-2-Amino-3-(4-hydroxy-phenyl)-1-(4-hydroxy-piperidin-1-yl)-propan-1-one hydrochloride (0.68 mmol) and 5-chloro-1H-indole-2-carboxylic acid (0.65 mmol) were coupled according to Procedure A (0-25° C. reaction temperature) with the following workup: the reaction mixture was diluted with ethyl acetate, the resulting solution washed with 1N NaOH (2 ml), the aqueous layer extracted three times with ethyl acetate, the combined organic extracts washed with 1N HCl, dried and concentrated. The residue was purified by chromatography on silica gel eluted with 1-16% ethanol in dichloromethane. Yield, 150 mg, 52%; HPLC (60/40) 3.53 minutes (99%); PBMS 442/444 (MH+, 100%);

후처리

  1. washthe resulting solution washed with 1N NaOH (2 ml)
  2. extractionthe aqueous layer extracted three times with ethyl acetate
  3. washthe combined organic extracts washed with 1N HCl
  4. customdried
  5. concentrationconcentrated
  6. customThe residue was purified by chromatography on silica gel
  7. washeluted with 1-16% ethanol in dichloromethane
  8. customYield

출처 및 근거

ORD 기록
ord-93aa3709e515405e804383095be976e6
출처 데이터셋
uspto-grants-2001_08
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US06277877B1

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