HRID523523

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID196

Hexanedioic acid

C6H10O4

HCID702

Ethanol

C2H6O

结构：COc1cc2c(cc1OC)CC(=O)N(CCCN(C)C[C@H]1Cc3cc(OC)c(OC)cc31)CC2

HCID132999

Ivabradine

C27H36N2O5

PRODUCTS

生成物

结构：COc1cc2c(cc1OC)CC(=O)N(CCCN(C)C[C@H]1Cc3cc(OC)c(OC)cc31)CC2.O=C([O-])CCCCC(=O)[O-]

HCID86680271

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6344

Dichloromethane

CH2Cl2

PROCEDURE

实验过程

Ivabradine adipate can be obtained by adding adipic acid, e.g. about one equivalent, in a suitable solvent, such as ethanol, to a solution of ivabradine in a suitable solvent, such as dichloromethane. Crystalline ivabradine adipate product can be obtained by removal of the solvent, e.g. under vacuum at about 40° C. Crystalline ivabradine adipate can also be obtained by adding a solution of adipic acid in water to a solution of ivabradine in ethanol, and removal of the solvent.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2c28ce3fbfbd4d39935e584c176d94bf
来源数据集: uspto-grants-2016_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09339550B2
来源说明: uspto-grants-2016_05

反应 SMILES

[C:1]([OH:10])(=[O:9])[CH2:2][CH2:3][CH2:4][CH2:5][C:6]([OH:8])=[O:7].C(O)C.[CH3:14][N:15]([CH2:35][C@@H:36]1[C:39]2[CH:40]=[C:41]([O:46][CH3:47])[C:42]([O:44][CH3:45])=[CH:43][C:38]=2[CH2:37]1)[CH2:16][CH2:17][CH2:18][N:19]1[C:29](=[O:30])[CH2:28][C:27]2[C:22](=[CH:23][C:24]([O:33][CH3:34])=[C:25]([O:31][CH3:32])[CH:26]=2)[CH2:21][CH2:20]1>ClCCl>[CH3:14][N:15]([CH2:35][C@@H:36]1[C:39]2[CH:40]=[C:41]([O:46][CH3:47])[C:42]([O:44][CH3:45])=[CH:43][C:38]=2[CH2:37]1)[CH2:16][CH2:17][CH2:18][N:19]1[C:29](=[O:30])[CH2:28][C:27]2[C:22](=[CH:23][C:24]([O:33][CH3:34])=[C:25]([O:31][CH3:32])[CH:26]=2)[CH2:21][CH2:20]1.[C:1]([O-:10])(=[O:9])[CH2:2][CH2:3][CH2:4][CH2:5][C:6]([O-:8])=[O:7]