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【结 构 式】

【分子编号】49760

【品名】2-[4-(tert-butyl)-2,6-dimethylphenyl]acetonitrile

【CA登记号】

【 分 子 式 】C14H19N

【 分 子 量 】201.3116

【元素组成】C 83.53% H 9.51% N 6.96%

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:(II)

Alkylation of sodium cyanide with 4-tert-butyl-2,6-dimethylbenzyl chloride (I) afforded nitrile (II). Imidate (III) was then prepared by Pinner reaction of nitrile (II) with ethanolic HCl. Cyclization of (III) with 1,3-diaminopropane (IV) in ethanol furnished the desired cyclic amidine. In an alternative procedure, the target amidine was directly obtained by melting at 200 C nitrile (II) with the mono-tosylate salt of 1,3-diaminopropane.

1 Prisinzano, T.; et al.; Imidazoline-modified benzylimidazolines as h5-HT1D/1B serotonergic ligands. Bioorg Med Chem 2001, 9, 3, 613.
2 Glennon, R.A.; Law, H. (NPS Allelix Corp.; Virginia Commonwealth University); Imidazoles with serotonin receptor binding activity. US 5969137; WO 9812183 .
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) 49759 5-(tert-butyl)-2-(chloromethyl)-1,3-dimethylbenzene C13H19Cl 详情 详情
(II) 49760 2-[4-(tert-butyl)-2,6-dimethylphenyl]acetonitrile C14H19N 详情 详情
(III) 49761 ethyl 2-[4-(tert-butyl)-2,6-dimethylphenyl]ethanimidoate C16H25NO 详情 详情
(IV) 19331 3-aminopropylamine; 1,3-propanediamine 109-76-2 C3H10N2 详情 详情
Extended Information