Hydrochloric Acid → 4-{4-[({[5-Amino-2-(cyclopropylsulfanyl)phenyl]methyl}(methyl)carbamoyl)[(1-{bis[(tert-butoxy)carbonyl]amino}-4-fluoroisoquinolin-6-yl)amino]methyl]-2,6-dimethylphenyl}-3-hydroxybutanoic acid

HRID 708815노트

반응식

HRID 708815 반응식
[Li+].[OH-].[NH2:3][C:4]1[CH:5]=[CH:6][C:7]([S:59][CH:60]2[CH2:62][CH2:61]2)=[C:8]([CH2:10][N:11]([CH3:58])[C:12]([CH:14]([NH:31][C:32]2[CH:33]=[C:34]3[C:39](=[CH:40][CH:41]=2)[C:38]([N:42]([C:50]([O:52][C:53]([CH3:56])([CH3:55])[CH3:54])=[O:51])[C:43]([O:45][C:46]([CH3:49])([CH3:48])[CH3:47])=[O:44])=[N:37][CH:36]=[C:35]3[F:57])[C:15]2[CH:20]=[C:19]([CH3:21])[C:18]([CH2:22][CH:23]([OH:29])[CH2:24][C:25]([O:27]C)=[O:26])=[C:17]([CH3:30])[CH:16]=2)=[O:13])[CH:9]=1.Cl>C1COCC1>[NH2:3][C:4]1[CH:5]=[CH:6][C:7]([S:59][CH:60]2[CH2:61][CH2:62]2)=[C:8]([CH2:10][N:11]([CH3:58])[C:12]([CH:14]([NH:31][C:32]2[CH:33]=[C:34]3[C:39](=[CH:40][CH:41]=2)[C:38]([N:42]([C:50]([O:52][C:53]([CH3:54])([CH3:55])[CH3:56])=[O:51])[C:43]([O:45][C:46]([CH3:48])([CH3:49])[CH3:47])=[O:44])=[N:37][CH:36]=[C:35]3[F:57])[C:15]2[CH:16]=[C:17]([CH3:30])[C:18]([CH2:22][CH:23]([OH:29])[CH2:24][C:25]([OH:27])=[O:26])=[C:19]([CH3:21])[CH:20]=2)=[O:13])[CH:9]=1

참가 물질

5

반응물 3

HCID 313Hydrochloric AcidHCID 3939Lithium HydroxideHCID 118093103Methyl 4-{4-[({[5-amino-2-(cyclopropylsulfanyl)phenyl]methyl}(methyl)carbamoyl)[(1 {bis[(tert-butoxy)carbonyl]amino}-4-fluoroisoquinolin-6-yl)amino]methyl]-2,6-dimethylphenyl}-3-hydroxybutanoate

생성물 1

HCID 1180928014-{4-[({[5-Amino-2-(cyclopropylsulfanyl)phenyl]methyl}(methyl)carbamoyl)[(1-{bis[(tert-butoxy)carbonyl]amino}-4-fluoroisoquinolin-6-yl)amino]methyl]-2,6-dimethylphenyl}-3-hydroxybutanoic acid

시약·촉매·용매 1

HCID 8028Tetrahydrofuran용매

실험 절차

1.0 M LiOH (0.266 mL, 0.266 mmol) was added to a solution of 2D (225 mg, 0.266 mmol) in THF (2 mL) and stirred for 6 h at rt. HCl (0.266 mL, 1 M) was added and the mixture was extracted with EtOAc. The combined organics were washed with brine, dried over Na2SO4 and concentrated in vacuo. The product 2E was used without further purification. MS (ESI) m/z: 832.7 (M+H)+.

후처리

  1. extractionthe mixture was extracted with EtOAc
  2. washThe combined organics were washed with brine
  3. dry with materialdried over Na2SO4
  4. concentrationconcentrated in vacuo
  5. customThe product 2E was used without further purification

출처 및 근거

ORD 기록
ord-2b3f917c36d64adfac1c6b330a0ea420
출처 데이터셋
uspto-grants-2015_11
특허 번호
US09174974B2

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