HRID1532540

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31268

Pyrrolidine

C4H9N

HCID18364508

未命名化合物

结构：CCCCCC1CCC(C2CCC(C#Cc3ccc(Br)cc3F)(CCCCC)CC2)CC1

HCID22013388

未命名化合物

PRODUCTS

生成物

结构：CCCCCC1CCC(C2CCC(C#Cc3ccc(C#CC4(OC)CCC(C5CCC(CCC)CC5)CC4)cc3F)(CCCCC)CC2)CC1

HCID22013390

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

结构：c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

催化剂HCID178418397

未命名化合物

PROCEDURE

实验过程

Analogously to Example 4, 1.913 g of 4-(4-bromo-2-fluorophenylethynyl)-4,4′-dipentylbicyclohexyl are reacted with 0.997 g of 4-ethynyl-4-methoxy-4′-propylbicyclohexyl in the presence of 0.219 g of tetrakis(triphenylphosphine)palladium(0) and 5 ml of pyrrolidine, giving 4-[4-(4,4′-dipentylbicyclohexyl-4-ylethynyl)-3-fluorophenylethynyl]-4-methoxy-4′-propyl-bicyclohexyl (C 177 N (36) I, Δε −0.26, Δn −0.015).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0950396a12044c6da6857bf0ebd79153
来源数据集: uspto-grants-2001_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06203724B1
来源说明: uspto-grants-2001_03

反应 SMILES

Br[C:2]1[CH:7]=[CH:6][C:5]([C:8]#[C:9][C:10]2([CH2:27][CH2:28][CH2:29][CH2:30][CH3:31])[CH2:15][CH2:14][CH:13]([CH:16]3[CH2:21][CH2:20][CH:19]([CH2:22][CH2:23][CH2:24][CH2:25][CH3:26])[CH2:18][CH2:17]3)[CH2:12][CH2:11]2)=[C:4]([F:32])[CH:3]=1.[C:33]([C:35]1([O:50][CH3:51])[CH2:40][CH2:39][CH:38]([CH:41]2[CH2:46][CH2:45][CH:44]([CH2:47][CH2:48][CH3:49])[CH2:43][CH2:42]2)[CH2:37][CH2:36]1)#[CH:34].N1CCCC1>C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1>[CH2:27]([C:10]1([C:9]#[C:8][C:5]2[CH:6]=[CH:7][C:2]([C:34]#[C:33][C:35]3([O:50][CH3:51])[CH2:40][CH2:39][CH:38]([CH:41]4[CH2:46][CH2:45][CH:44]([CH2:47][CH2:48][CH3:49])[CH2:43][CH2:42]4)[CH2:37][CH2:36]3)=[CH:3][C:4]=2[F:32])[CH2:11][CH2:12][CH:13]([CH:16]2[CH2:21][CH2:20][CH:19]([CH2:22][CH2:23][CH2:24][CH2:25][CH3:26])[CH2:18][CH2:17]2)[CH2:14][CH2:15]1)[CH2:28][CH2:29][CH2:30][CH3:31]