HRID519717

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11748636

N,N,N-Tributylbutan-1-aminium fluoride--hydrogen fluoride (1/1/2)

C16H38F3N

结构：CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)n([C@H]2CC[C@H](OCC3(C)CO3)CC2)c2nc(C)nn12

HCID178438595

未命名化合物

PRODUCTS

生成物

结构：CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)n([C@H]2CC[C@H](OCC(C)(O)CF)CC2)c2nc(C)nn12

HCID178438637

未命名化合物

收率 47.7%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID7964

Chlorobenzene

C6H5Cl

CONDITIONS

反应条件

温度: 120 °C

PROCEDURE

实验过程

A mixture of 4′-[(2-methyl-4-{trans-4-[(2-methyloxiran-2-yl)methoxy]cyclohexyl}-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]biphenyl-2-carbonitrile (0.19 g), tetra-n-butylammonium dihydrogentrifluoride (0.65 g) and chlorobenzene (0.5 mL) was stirred at 120° C. for 20 hr. The reaction mixture was purified by silica gel column chromatography to give the title compound as a colorless solid (0.094 g, 46%).

WORKUP

后处理

customThe reaction mixture was purified by silica gel column chromatography

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-529f6234ec9f481093b95ca0e73c5e17
来源数据集: uspto-grants-2015_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09115136B2
来源说明: uspto-grants-2015_08

反应 SMILES

[CH3:1][C:2]1[N:41]=[C:5]2[N:6]([C@H:29]3[CH2:34][CH2:33][C@H:32]([O:35][CH2:36][C:37]4([CH3:40])[CH2:39][O:38]4)[CH2:31][CH2:30]3)[C:7](=[O:28])[C:8]([CH2:13][C:14]3[CH:19]=[CH:18][C:17]([C:20]4[C:21]([C:26]#[N:27])=[CH:22][CH:23]=[CH:24][CH:25]=4)=[CH:16][CH:15]=3)=[C:9]([CH2:10][CH2:11][CH3:12])[N:4]2[N:3]=1.CCCC[N+](CCCC)(CCCC)CCCC.[FH:59].F.[F-]>ClC1C=CC=CC=1>[F:59][CH2:39][C:37]([OH:38])([CH3:40])[CH2:36][O:35][C@H:32]1[CH2:33][CH2:34][C@H:29]([N:6]2[C:7](=[O:28])[C:8]([CH2:13][C:14]3[CH:15]=[CH:16][C:17]([C:20]4[C:21]([C:26]#[N:27])=[CH:22][CH:23]=[CH:24][CH:25]=4)=[CH:18][CH:19]=3)=[C:9]([CH2:10][CH2:11][CH3:12])[N:4]3[N:3]=[C:2]([CH3:1])[N:41]=[C:5]23)[CH2:30][CH2:31]1