HRID919286

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6395

Methanesulfonic acid

CH4O3S

$结构：CCCCCCOC(=O)/N=C(\N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1$

HCID6445226

未命名化合物

PRODUCTS

生成物

$结构：CCCCCCOC(=O)/N=C(\N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1.CS(=O)(=O)O$

HCID11434065

Dabigatran etexilate mesylate

C35H45N7O8S

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID8028

Tetrahydrofuran

C4H8O

PROCEDURE

实验过程

Methane sulfonic acid (1.5 g) was slowly added to a mixture of Dabigatran etexilate (10 g) and tetrahydrofuran (120 ml) at 25-30° C. and stirred for 5 hours. Filtered the precipitated solid, washed with tetrahydrofuran and then dried to get crystalline form-I of Dabigatran etexilate mesylate.

WORKUP

后处理

filtrationFiltered the precipitated solid
washwashed with tetrahydrofuran
customdried

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5c81bf0b8ccd42d1a1cbbc4ca5e87f70
来源数据集: uspto-grants-2016_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09273030B2
来源说明: uspto-grants-2016_03

反应 SMILES

[CH3:1][S:2]([OH:5])(=[O:4])=[O:3].[CH3:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][O:12][C:13](/[N:15]=[C:16](\[NH2:51])/[C:17]1[CH:18]=[CH:19][C:20]([NH:23][CH2:24][C:25]2[N:33]([CH3:34])[C:32]3[CH:31]=[CH:30][C:29]([C:35]([N:37]([C:45]4[CH:46]=[CH:47][CH:48]=[CH:49][N:50]=4)[CH2:38][CH2:39][C:40]([O:42][CH2:43][CH3:44])=[O:41])=[O:36])=[CH:28][C:27]=3[N:26]=2)=[CH:21][CH:22]=1)=[O:14]>O1CCCC1>[CH3:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][O:12][C:13](/[N:15]=[C:16](\[NH2:51])/[C:17]1[CH:18]=[CH:19][C:20]([NH:23][CH2:24][C:25]2[N:33]([CH3:34])[C:32]3[CH:31]=[CH:30][C:29]([C:35]([N:37]([C:45]4[CH:46]=[CH:47][CH:48]=[CH:49][N:50]=4)[CH2:38][CH2:39][C:40]([O:42][CH2:43][CH3:44])=[O:41])=[O:36])=[CH:28][C:27]=3[N:26]=2)=[CH:21][CH:22]=1)=[O:14].[CH3:1][S:2]([OH:5])(=[O:4])=[O:3]