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Ammonia → 4-(1-Nitro-isoquinoline-5-sulfonyl)-[1,4]diazepane-1-carboxylic acid tert-butyl ester

HRID 251803
ノート
印刷プレビュー

反応式

HRID 251803 の反応式
[C:1]([O:5][C:6]([N:8]1[CH2:14][CH2:13][CH2:12][N:11]([S:15]([C:18]2[C:19]3[CH:20]=[CH:21][N:22]=[CH:23][C:24]=3[CH:25]=[CH:26][CH:27]=2)(=[O:17])=[O:16])[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[N:28]([O-:30])=[O:29].[Na+].C(OC(=O)C)(=O)C.N>CS(C)=O>[C:1]([O:5][C:6]([N:8]1[CH2:14][CH2:13][CH2:12][N:11]([S:15]([C:18]2[C:19]3[CH:20]=[CH:21][N:22]=[C:23]([N+:28]([O-:30])=[O:29])[C:24]=3[CH:25]=[CH:26][CH:27]=2)(=[O:17])=[O:16])[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:2])[CH3:3]
参加物実験手順後処理出典と根拠反応ノート

参加物

6

反応物 4

HCID 222AmmoniaHCID 7918Acetic Anhydride2 回HCID 23668193Sodium Nitrite2 回HCID 66868231Tert-butyl 4-(isoquinolin-5-ylsulfonyl)-1,4-diazepane-1-carboxylate

生成物 1

HCID 668684924-(1-Nitro-isoquinoline-5-sulfonyl)-[1,4]diazepane-1-carboxylic acid tert-butyl ester

試薬・触媒・溶媒 1

HCID 679
Dimethyl Sulfoxide
溶媒
3 回

実験手順

To a stirred solution of the isoquinoline from step A (1.17 g, 3.0 mmol) in anhydrous DMSO (12 mL) was added sodium nitrite (1.24 g, 18 mmol). To the mixture was added slowly over 30 min a solution of acetic anhydride (1.84 g, 18 mmol) in anhydrous DMSO (12 mL). The mixture was stirred overnight and TLC showed most starting material remained. More sodium nitrite (1.24 g, 18 mmol) and acetic anhydride (1.84 g, 18 mmol) in anhydrous DMSO (12 mL) was added and stirring was continued for about 1 h. During this period yellow solid precipitated and TLC showed a new product at Rf 0.5 (hexane/EtOAc 1:1). The mixture was poured into a saturated aqueous solution of sodium bicarbonate (100 mL) and extracted with EtOAc (100 mL×2). Chromatography on silica eluting with 20% EtOAc/Hexane gave an oil. (0.81 g, 62%). LCMS (+APCI) m/z 454 (M+H+NH3).

後処理

  1. stirringstirring
  2. waitwas continued for about 1 h
  3. customDuring this period yellow solid precipitated
  4. additionThe mixture was poured into a saturated aqueous solution of sodium bicarbonate (100 mL)
  5. extractionextracted with EtOAc (100 mL×2)
  6. customChromatography on silica eluting with 20% EtOAc/Hexane gave an oil

出典と根拠

ORDレコード
ord-9dfcee990f2f4b6793ee57e9b72c3dd7
出典データセット
uspto-grants-2011_01
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07867999B1

反応ノート

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