HRID35349

反应详情

EQUATION

反应方程式

REACTANTS

反应物

$结构：O=C([O-])/C=C\C(=O)[O-]$

HCID5288227

Maleate (2-)

C4H2O4-2

结构：Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)C(C(N)=O)C1

HCID14230088

未命名化合物

PRODUCTS

生成物

$结构：Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)C(C(N)=O)C1.O=C(O)/C=C\C(=O)O$

HCID86742390

未命名化合物

收率 39%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID180

Acetone

C3H6O

2 次

PROCEDURE

实验过程

A solution of 3 parts of 3-(aminocarbonyl)-4-[4,4-bis(4-fluorophenyl)butyl]-N-(2,6-dimethylphenyl)-1-piperazineacetamide in 80 parts of 2-propanone was added to a solution of 1.9 parts of (Z)-2-butenedioate in 40 parts of 2-propanone: slowly crystallization. The product was filtered off and recrystallized twice from 2-propanol and once from 2-propanone, yielding 1.56 parts (39%) of 3-(aminocarbonyl)-4-[4,4-bis(4-fluorophenyl)butyl]-N-(2,6-dimethylphenyl)-1-piperazineacetamide (Z)-2-butenedioate (1:2) monohydrate; mp. 119.6° C. (compound 174).

WORKUP

后处理

customslowly crystallization
filtrationThe product was filtered off
customrecrystallized twice from 2-propanol and once from 2-propanone

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c901156177a648379f91f3f559a43e89
来源数据集: uspto-grants-1988_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US04766125
来源说明: uspto-grants-1988_08

反应 SMILES

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