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【结 构 式】

【分子编号】58991

【品名】5-formyl-2'-(trifluoromethyl)[1,1'-biphenyl]-2-carbonitrile

【CA登记号】

【 分 子 式 】C15H8F3NO

【 分 子 量 】275.2298696

【元素组成】C 65.46% H 2.93% F 20.71% N 5.09% O 5.81%

与该中间体有关的原料药合成路线共 1 条

合成路线1

该中间体在本合成路线中的序号:(III)

Suzuki coupling between 2-bromo-4-formylbenzonitrile (I) and 2-(trifluoromethyl)phenylboronic acid (II) affords the biphenyl aldehyde (III). The lithiated derivative of imidazole (IV) is then added to aldehyde (III), producing carbinol (V). Alkylation of (V) with the bromomethylpyridine (VI) by using Ag2O yields ether (VII). The chlorine atom of (VII) is finally displaced with 3-hydroxypiperidine (VIII) to provide the title compound.

1 Wang, G.T.; et al.; Lead optimization of imidazole-containing inhibitors of farnesyl transferase. 224th ACS Natl Meet (Aug 18 2002, Boston) 2002, Abst MEDI 130.
中间体序号 中间体编号 品名 CAS号 分子式 供应商 用于合成
(I) 58990 2-bromo-4-formylbenzonitrile C8H4BrNO 详情 详情
(II) 53180 2-Trifluoromethylbenzeneboronic acid; 2-Trifluoromethylphenylboronic acid; o-Trifluoromethylphenylboronic acid 1423-27-4 C7H6BF3O2 详情 详情
(III) 58991 5-formyl-2'-(trifluoromethyl)[1,1'-biphenyl]-2-carbonitrile C15H8F3NO 详情 详情
(IV) 58992 1-methyl-2-(triethylsilyl)-1H-imidazole C10H20N2Si 详情 详情
(V) 58993 5-[hydroxy(1-methyl-1H-imidazol-5-yl)methyl]-2'-(trifluoromethyl)[1,1'-biphenyl]-2-carbonitrile C19H14F3N3O 详情 详情
(VI) 58994 6-(bromomethyl)-2-chloronicotinonitrile C7H4BrClN2 详情 详情
(VII) 58995 2-chloro-6-{[[6-cyano-2'-(trifluoromethyl)[1,1'-biphenyl]-3-yl](1-methyl-1H-imidazol-5-yl)methoxy]methyl}nicotinonitrile C26H17ClF3N5O 详情 详情
(VIII) 24255 3-piperidinol 6859-99-0 C5H11NO 详情 详情
Extended Information