HRID418540

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

结构：Cc1ccc2c(=O)n([C@H](C)COS(C)(=O)=O)ccc2c1NC(=O)Cc1ccc(C(F)(F)F)c(F)c1

HCID59845709

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc2c(=O)n([C@H](C)CN3CCN(C(=O)OC(C)(C)C)CC3)ccc2c1NC(=O)Cc1ccc(C(F)(F)F)c(F)c1

HCID66648918

未命名化合物

收率 82.7%

PROCEDURE

实验过程

A mixture of (R)-2-(5-(2-(3-fluoro-4-(trifluoromethyl)phenyl)acetamido)-6-methyl-1-oxoisoquinolin-2(1H)-yl)propyl methanesulfonate (100 mg, 0.0002 mol), tert-butyl 1-piperazinecarboxylate (100 mg, 0.0006 mol), triethylamine (200 mg, 0.002 mol) and methylene chloride (6 mL, 0.09 mol) was stirred at room temperature overnight. The solvents were removed under reduced pressure and the residue was purified by flash chromatography to afford the desired product as a light yellow oil (100 mg, 60%).

WORKUP

后处理

customThe solvents were removed under reduced pressure
customthe residue was purified by flash chromatography

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-83de8fdee57d4bc091c9fe5cac01ed9a
来源数据集: uspto-grants-2012_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08093265B2
来源说明: uspto-grants-2012_01

反应 SMILES

CS(O[CH2:6][C@H:7]([N:9]1[CH:18]=[CH:17][C:16]2[C:11](=[CH:12][CH:13]=[C:14]([CH3:34])[C:15]=2[NH:19][C:20](=[O:33])[CH2:21][C:22]2[CH:27]=[CH:26][C:25]([C:28]([F:31])([F:30])[F:29])=[C:24]([F:32])[CH:23]=2)[C:10]1=[O:35])[CH3:8])(=O)=O.[N:36]1([C:42]([O:44][C:45]([CH3:48])([CH3:47])[CH3:46])=[O:43])[CH2:41][CH2:40][NH:39][CH2:38][CH2:37]1.C(N(CC)CC)C.C(Cl)Cl>>[F:32][C:24]1[CH:23]=[C:22]([CH2:21][C:20]([NH:19][C:15]2[C:14]([CH3:34])=[CH:13][CH:12]=[C:11]3[C:16]=2[CH:17]=[CH:18][N:9]([C@H:7]([CH3:8])[CH2:6][N:39]2[CH2:38][CH2:37][N:36]([C:42]([O:44][C:45]([CH3:48])([CH3:47])[CH3:46])=[O:43])[CH2:41][CH2:40]2)[C:10]3=[O:35])=[O:33])[CH:27]=[CH:26][C:25]=1[C:28]([F:30])([F:31])[F:29]