HRID1032870

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID10340

Carbonic acid sodium salt (1:2)

CNa2O3

HCID17793420

未命名化合物

结构：CCC[C@H]1CC[C@H]([C@H]2CC[C@H](CCc3ccc(Br)cc3)CC2)CC1

HCID178448030

未命名化合物

PRODUCTS

生成物

结构：CCC[C@H]1CC[C@H]([C@H]2CC[C@H](CCc3ccc(-c4ccc(C(F)(F)F)cc4)cc3)CC2)CC1

HCID178448031

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID702

Ethanol

C2H6O

溶剂HCID1140

Toluene

C7H8

PROCEDURE

实验过程

A solution of 0.05 m of 1-[trans-4-(trans-4-n-propylcyclohexyl)cyclohexyl]-2-(p-bromophenyl)ethane (DE 3317597) and 0.05 m of p-trifluoromethylphenylboric acid (prepared from p-bromotriflurotoluene by consecutive reaction with n-BuLi/B(OCH3)3 and H+ /H2O) in 100 ml of toluene and 50 ml of ethanol is refluxed for 4 hours after 0.0001 m of Pd(Ph3)4 and 50 ml of Na2CO3 solution (2M) have been added. Conventional extractive work-up and subsequent purification by chromatography and crystallization give 1-[trans-4-(trans-4-n-propylcyclohexyl)cyclohexyl]-2-(4-trifluoromethylbiphenyl-4'-yl)ethane.

WORKUP

后处理

additionhave been added
customConventional extractive work-up and subsequent purification
customby chromatography and crystallization

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-17c37d546c884c1db8ecad3883e2fc55
来源数据集: uspto-grants-1994_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US05308541
来源说明: uspto-grants-1994_05

反应 SMILES

[CH2:1]([C@H:4]1[CH2:9][CH2:8][C@H:7]([C@H:10]2[CH2:15][CH2:14][C@H:13]([CH2:16][CH2:17][C:18]3[CH:23]=[CH:22][C:21](Br)=[CH:20][CH:19]=3)[CH2:12][CH2:11]2)[CH2:6][CH2:5]1)[CH2:2][CH3:3].[F:25][C:26]([F:38])([F:37])[C:27]1[CH:32]=[CH:31][C:30](OB(O)O)=[CH:29][CH:28]=1.C([O-])([O-])=O.[Na+].[Na+]>C1(C)C=CC=CC=1.C(O)C>[CH2:1]([C@H:4]1[CH2:9][CH2:8][C@H:7]([C@H:10]2[CH2:15][CH2:14][C@H:13]([CH2:16][CH2:17][C:18]3[CH:23]=[CH:22][C:21]([C:30]4[CH:31]=[CH:32][C:27]([C:26]([F:38])([F:37])[F:25])=[CH:28][CH:29]=4)=[CH:20][CH:19]=3)[CH2:12][CH2:11]2)[CH2:6][CH2:5]1)[CH2:2][CH3:3]