HRID36241

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(CBr)cc1

HCID15282100

未命名化合物

结构：CC1CC1Cc1nn(-c2ccccc2C(F)(F)F)c(=O)[nH]1

HCID135432862

未命名化合物

PRODUCTS

生成物

结构：CC1CC1Cc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(C)(C)C)cc1

HCID10348535

未命名化合物

PROCEDURE

实验过程

The title compound was prepared from 2,4-dihydro-5-[(2-methylcylopropyl)methyl]-2-[2-(trifluoromethyl)phenyl]-3H-1,2,4-triazol-3-one (from Step E) and [2'-(N-t-butylsulfamoyl)biphenyl-4-yl]methyl bromide (from Example 12, Step D) according to the procedure of Example 13, Step A. The crude material was purified by flash chromatography over silica gel (gradient elution using 0.3-1.0% MeOH/CH2Cl2) to give a 64% yield of the desired material as a cream-colored solid, homogeneous by TLC in 2% MeOH/CH2Cl2 ; mass spectrum (FAB) m/e 599 (M+1)+ ; mp 128°-130° C.

WORKUP

后处理

customThe crude material was purified by flash chromatography over silica gel (gradient elution using 0.3-1.0% MeOH/CH2Cl2)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-204e9598eddc45ceb1aaa75b3b894214
来源数据集: uspto-grants-1995_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US05411980
来源说明: uspto-grants-1995_05

反应 SMILES

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