HRID1788574

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID24813

Phosphoric trichloride

Cl3OP

反应SMILES：CCOC(=O)c1ccc2c(c1)nc(-c1ccc3[nH]c(-c4ccccc4)cc(=O)c3c1)n2C1CCCCC1

HCID86600381

未命名化合物

PRODUCTS

产物

反应SMILES：CCOC(=O)c1ccc2c(c1)nc(-c1ccc3nc(-c4ccccc4)cc(Cl)c3c1)n2C1CCCCC1

HCID68924249

未命名化合物

CONDITIONS

反应条件

温度: 100 °C

PROCEDURE

实验过程

1-Cyclohexyl-2-(4-oxo-2-phenyl-1,4-dihydro-quinolin-6-yl)-1H-benzoimidazole-5-carboxylic acid ethyl ester acid (4 g, 8.14 mmol) was dissolved in phosphorous oxy chloride and heated at 100° C. overnight. After evaporation of the solvent the product was recrystallized from methanol/water to give 3.96 g of crude product. Silica gel purification of the title compound proved to be unsatisfactory due to degradation of the product on the column. MS: 510.22 (M+H+).

WORKUP

后处理

customAfter evaporation of the solvent the product
customwas recrystallized from methanol/water

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a3e64b83fe1941a496c990845a45cb8a
来源数据集: uspto-grants-2009_03
DOI: 10.6084/m9.figshare.5104873.v1
专利号: US07511145B2
来源说明: uspto-grants-2009_03

反应SMILES

[CH2:1]([O:3][C:4]([C:6]1[CH:37]=[CH:36][C:9]2[N:10]([CH:30]3[CH2:35][CH2:34][CH2:33][CH2:32][CH2:31]3)[C:11]([C:13]3[CH:14]=[C:15]4[C:20](=[CH:21][CH:22]=3)[NH:19][C:18]([C:23]3[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=3)=[CH:17][C:16]4=O)=[N:12][C:8]=2[CH:7]=1)=[O:5])[CH3:2].P(Cl)(Cl)([Cl:40])=O>>[CH2:1]([O:3][C:4]([C:6]1[CH:37]=[CH:36][C:9]2[N:10]([CH:30]3[CH2:35][CH2:34][CH2:33][CH2:32][CH2:31]3)[C:11]([C:13]3[CH:14]=[C:15]4[C:20](=[CH:21][CH:22]=3)[N:19]=[C:18]([C:23]3[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=3)[CH:17]=[C:16]4[Cl:40])=[N:12][C:8]=2[CH:7]=1)=[O:5])[CH3:2]