HRID704446

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(CCN1CCN(C(=O)C2CSC(c3cccnc3)N2)CC1)c1ccccc1

HCID131436

未命名化合物

HCID444972

Fumaric acid

C4H4O4

PRODUCTS

生成物

结构：CC(C)(CCN1CCN(C(=O)C2CSC(c3cccnc3)N2)CC1)c1ccccc1.O=C(O)/C=C/C(=O)O

HCID6439322

1-(3-Methyl-3-phenylbutyl)-4-(2-(3-pyridyl)thiazolidin-4-ylcarbonyl)piperazine fumarate

C28H36N4O5S

收率 72.5%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID702

Ethanol

C2H6O

PROCEDURE

实验过程

To a solution of 1-(3-methyl-3-phenylbutyl)-4[2-(3-pyridyl)thiazolidin-4-ylcarbonyl]piperazine (1.22 g) in ethanol (6 ml) was added fumaric acid (0.32 g) and the mixture was dissolved. The solution was stirred at room temperature for 2 hours and allowed to stand at room temperature for a day. The resultant crystals were collected by filtration, washed with ethanol and then dried to give 1.08 g of 1-(3-methyl-3-phenylbutyl]-4-[2-(3-pyridyl)thiazolidin-4-ylcarbonyl]piperazine fumarate.

WORKUP

后处理

dissolutionthe mixture was dissolved
waitto stand at room temperature for a day
filtrationThe resultant crystals were collected by filtration
washwashed with ethanol
customdried

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-88b7f8b58e1348cf9f62240b69c336cd
来源数据集: uspto-grants-1991_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US04987132
来源说明: uspto-grants-1991_01

反应 SMILES

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