HRID732712

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID20443148

1,4-Dioxane hydrochloride

C4H9ClO2

结构：COc1cc(C(=O)O)ccc1NC(=O)N1C[C@H](CN(C(=O)OC(C)(C)C)[C@H](C)c2cccc3ccccc23)[C@@H](c2ccccc2)C1

HCID68910348

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)O)ccc1NC(=O)N1C[C@H](CN[C@H](C)c2cccc3ccccc23)[C@@H](c2ccccc2)C1.Cl

HCID68910423

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID31275

1,4-Dioxane

C4H8O2

PROCEDURE

实验过程

An 8.0 ml 1,4-dioxane solution of 226 mg of 4-({[(3R,4S)-3-({(tert-butoxycarbonyl)[(1R)-1-(1-naphthyl)ethyl]amino}methyl)-4-phenylpyrrolidin 1-yl]carbonyl}amino)-3-methoxybenzoic acid was mixed with 2.0 ml of 4 M hydrogen chloride/1,4-dioxane at room temperature and stirred overnight at room temperature. The solvent was evaporated under a reduced pressure, and the residue was crystallized with 1,4-dioxane-diisopropyl ether to obtain 180 mg of 3-methoxy-4-({[(3S,4S)-3-({[(1R)-1-(1-naphthyl)ethyl]amino}methyl)-4-phenylpyrrolidin-1-yl]carbonyl}amino)benzoic acid hydrochloride as a beige solid.

WORKUP

后处理

customThe solvent was evaporated under a reduced pressure
customthe residue was crystallized with 1,4-dioxane-diisopropyl ether

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-be69fa4d3a9140fe9ab6bdd789c38ab8
来源数据集: uspto-grants-2009_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07585886B2
来源说明: uspto-grants-2009_09

反应 SMILES

C(OC([N:8]([CH2:21][C@@H:22]1[C@@H:26]([C:27]2[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=2)[CH2:25][N:24]([C:33]([NH:35][C:36]2[CH:44]=[CH:43][C:39]([C:40]([OH:42])=[O:41])=[CH:38][C:37]=2[O:45][CH3:46])=[O:34])[CH2:23]1)[C@@H:9]([C:11]1[C:20]2[C:15](=[CH:16][CH:17]=[CH:18][CH:19]=2)[CH:14]=[CH:13][CH:12]=1)[CH3:10])=O)(C)(C)C.[ClH:47].O1CCOCC1>O1CCOCC1>[ClH:47].[CH3:46][O:45][C:37]1[CH:38]=[C:39]([CH:43]=[CH:44][C:36]=1[NH:35][C:33]([N:24]1[CH2:25][C@H:26]([C:27]2[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=2)[C@@H:22]([CH2:21][NH:8][C@@H:9]([C:11]2[C:20]3[C:15](=[CH:16][CH:17]=[CH:18][CH:19]=3)[CH:14]=[CH:13][CH:12]=2)[CH3:10])[CH2:23]1)=[O:34])[C:40]([OH:42])=[O:41]