HRID1867969

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7912

Diisopropylamine

C6H15N

结构：CC(C)NCCNc1ccc(S(=O)(=O)Oc2ccc3nc(NC(=O)CCC4CCNCC4)sc3c2)cc1.Cl

HCID11678697

未命名化合物

结构：CC(C)(C)OC(=O)N1CCC(CCC(=O)Nc2nc3ccc(OS(=O)(=O)c4ccc(F)cc4)cc3s2)CC1

HCID57980864

未命名化合物

2 次

PRODUCTS

生成物

结构：CC(C)NCCNc1ccc(S(=O)(=O)Oc2ccc3nc(NC(=O)CCC4CCN(C(=O)OC(C)(C)C)CC4)sc3c2)cc1

HCID86612148

未命名化合物

PROCEDURE

实验过程

According to the method of example 18, 4-(2-isopropylaminoethylamino)-benzenesulfonic acid 2-(3-piperid-4-ylpropionylamino)benzothiazol-6-yl ester hydrochloride is prepared by combining 4-{2-[6-(4-fluorobenzenesulfonyloxy)-benzothiazol-2-ylcarbamoyl]ethyl}piperidine-1-carboxylic acid tert-butyl ester (intermediate 23) with N,N-diisopropylamine. The compound obtained from the first step (4-(2-{6-[4-(2-isopropylaminoethylamino)benzenesulfonyloxy]-benzothiazol-2-ylcarbamoyl}ethyl)piperidine-1-carboxylic acid tert-butyl ester) is purified on a flash cartridge of 5 g of silica of porosity 15-35μ, with a gradient of from 1% to 10% of methanol in dichloromethane.

WORKUP

后处理

customis prepared

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-582c2639ff43465f9cafaf8ed59db8e2
来源数据集: uspto-grants-2009_12
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07632952B2
来源说明: uspto-grants-2009_12

反应 SMILES

Cl.[NH:2]1[CH2:7][CH2:6][CH:5]([CH2:8][CH2:9][C:10]([NH:12][C:13]2[S:14][C:15]3[CH:21]=[C:20]([O:22][S:23]([C:26]4[CH:31]=[CH:30][C:29]([NH:32][CH2:33][CH2:34][NH:35][CH:36]([CH3:38])[CH3:37])=[CH:28][CH:27]=4)(=[O:25])=[O:24])[CH:19]=[CH:18][C:16]=3[N:17]=2)=[O:11])[CH2:4][CH2:3]1.[C:39]([O:43][C:44](N1CCC(CCC(=O)NC2SC3C=C(OS(C4C=CC(F)=CC=4)(=O)=O)C=CC=3N=2)CC1)=[O:45])([CH3:42])([CH3:41])[CH3:40].C(NC(C)C)(C)C>>[C:39]([O:43][C:44]([N:2]1[CH2:7][CH2:6][CH:5]([CH2:8][CH2:9][C:10](=[O:11])[NH:12][C:13]2[S:14][C:15]3[CH:21]=[C:20]([O:22][S:23]([C:26]4[CH:27]=[CH:28][C:29]([NH:32][CH2:33][CH2:34][NH:35][CH:36]([CH3:38])[CH3:37])=[CH:30][CH:31]=4)(=[O:24])=[O:25])[CH:19]=[CH:18][C:16]=3[N:17]=2)[CH2:4][CH2:3]1)=[O:45])([CH3:42])([CH3:41])[CH3:40]