HRID916055

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

2 次

HCID1004

Phosphoric acid

H3O4P

结构：COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12

HCID2585

Carvedilol

C24H26N2O4

PRODUCTS

生成物

结构：COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12.COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12.O.O=P(O)(O)O.O=P(O)(O)O

HCID11954344

Carvedilol phosphate hemihydrate

C48H60N4O17P2

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID962

Water

H2O

2 次

PROCEDURE

实验过程

A suitable reactor is charged with acetone. The acetone solution is sequentially charged with carvedilol and water. Upon addition of the water, the slurry dissolves quicky. To the solution is added aqueous H3PO4. The reaction mixture is stirred at room temperature and carvedilol dihydrogen phosphate seeds are added in one portion. The solid precipitate formed is stirred, then filtered and the collected cake is washed with aqueous acetone. The cake is dried under vacuum to a constant weight. The cake is weighed and stored in a polyethylene container.

WORKUP

后处理

dissolutionthe slurry dissolves quicky
customThe solid precipitate formed
stirringis stirred
filtrationfiltered
washthe collected cake is washed with aqueous acetone
customThe cake is dried under vacuum to a constant weight

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e4f90c9679f346df86878790a534c66d
来源数据集: uspto-grants-2007_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07268156B2
来源说明: uspto-grants-2007_09

反应 SMILES

CC(C)=[O:3].[CH3:5][O:6][C:7]1[CH:8]=[CH:9][CH:10]=[CH:11][C:12]=1[O:13][CH2:14][CH2:15][NH:16][CH2:17][CH:18]([OH:34])[CH2:19][O:20][C:21]1[CH:22]=[CH:23][CH:24]=[C:25]2[NH:33][C:32]3[CH:31]=[CH:30][CH:29]=[CH:28][C:27]=3[C:26]=12.[OH:35][P:36]([OH:39])([OH:38])=[O:37]>O>[CH3:5][O:6][C:7]1[C:12]([O:13][CH2:14][CH2:15][NH:16][CH2:17][CH:18]([OH:34])[CH2:19][O:20][C:21]2[C:26]3[C:27]4[C:32]([NH:33][C:25]=3[CH:24]=[CH:23][CH:22]=2)=[CH:31][CH:30]=[CH:29][CH:28]=4)=[CH:11][CH:10]=[CH:9][CH:8]=1.[CH3:5][O:6][C:7]1[C:12]([O:13][CH2:14][CH2:15][NH:16][CH2:17][CH:18]([OH:34])[CH2:19][O:20][C:21]2[C:26]3[C:27]4[C:32]([NH:33][C:25]=3[CH:24]=[CH:23][CH:22]=2)=[CH:31][CH:30]=[CH:29][CH:28]=4)=[CH:11][CH:10]=[CH:9][CH:8]=1.[OH2:3].[OH:37][P:36]([OH:39])([OH:38])=[O:35].[OH:37][P:36]([OH:39])([OH:38])=[O:35]