HRID55362

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1

HCID104850

Rimonabant

C22H21Cl3N4O

HCID444972

Fumaric acid

C4H4O4

PRODUCTS

生成物

结构：Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1.Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1.O=C(O)/C=C/C(=O)O

HCID131719998

未命名化合物

收率 134.6%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID180

Acetone

C3H6O

2 次

CONDITIONS

反应条件

温度: 0 °C

PROCEDURE

实验过程

A solution of 0.038 g of fumaric acid in 6 ml of acetone is added dropwise to a solution of 0.30 g of the compound obtained in example 195 in 3 ml of acetone. The white crystals formed upon cooling to 0° C. are filtered off, washed with acetone and dried under vacuum to give 0.23 g of the expected salt. m.p.=168° C.

WORKUP

后处理

customThe white crystals formed
filtrationare filtered off
washwashed with acetone
customdried under vacuum

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-00836dd5bd6a41fea07a3c2189dfeca3
来源数据集: uspto-grants-1997_04
DOI: 10.6084/m9.figshare.5104873.v1
专利: US05624941
来源说明: uspto-grants-1997_04

反应 SMILES

[C:1]([OH:8])(=[O:7])/[CH:2]=[CH:3]/[C:4]([OH:6])=[O:5].[N:9]1([NH:15][C:16]([C:18]2[C:22]([CH3:23])=[C:21]([C:24]3[CH:29]=[CH:28][C:27]([Cl:30])=[CH:26][CH:25]=3)[N:20]([C:31]3[CH:36]=[CH:35][C:34]([Cl:37])=[CH:33][C:32]=3[Cl:38])[N:19]=2)=[O:17])[CH2:14][CH2:13][CH2:12][CH2:11][CH2:10]1>CC(C)=O>[C:1]([OH:8])(=[O:7])/[CH:2]=[CH:3]/[C:4]([OH:6])=[O:5].[N:9]1([NH:15][C:16]([C:18]2[C:22]([CH3:23])=[C:21]([C:24]3[CH:25]=[CH:26][C:27]([Cl:30])=[CH:28][CH:29]=3)[N:20]([C:31]3[CH:36]=[CH:35][C:34]([Cl:37])=[CH:33][C:32]=3[Cl:38])[N:19]=2)=[O:17])[CH2:14][CH2:13][CH2:12][CH2:11][CH2:10]1.[N:9]1([NH:15][C:4]([C:3]2[C:2]([CH3:1])=[C:21]([C:24]3[CH:25]=[CH:26][C:27]([Cl:30])=[CH:28][CH:29]=3)[N:20]([C:31]3[CH:36]=[CH:35][C:34]([Cl:37])=[CH:33][C:32]=3[Cl:38])[N:19]=2)=[O:6])[CH2:14][CH2:13][CH2:12][CH2:11][CH2:10]1