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 708815ノート

反応式

HRID 708815 の反応式
[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

参加物

5

反応物 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

生成物 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

試薬・触媒・溶媒 1

HCID 8028Tetrahydrofuran溶媒

実験手順

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)+.

後処理

  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

出典と根拠

ORDレコード
ord-2b3f917c36d64adfac1c6b330a0ea420
出典データセット
uspto-grants-2015_11
特許番号
US09174974B2

反応ノート

読み込み中…