N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-[2-(methylsulfanyl)phenyl]amine; N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(methylsulfanyl)aniline -Drug Synthesis Database

【结构式】

【分子编号】49149

【品名】N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-[2-(methylsulfanyl)phenyl]amine; N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(methylsulfanyl)aniline

【CA登记号】

【分子式】C₁₁H₁₅N₃S

【分子量】221.32632

【元素组成】C 59.7% H 6.83% N 18.99% S 14.49%

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)

2-(Methylthio)aniline (I) was alkylated with 2-(chloromethyl)-2-imidazoline hydrochloride (II) in phenol at 120 C to afford the condensation product (III). Subsequent oxidation of the thioether functionality of (III) with m-chloroperbenzoic acid gave rise to the target sulfone.

参考文献中间体

合成目标

【1】 Hodson, S.J.; Navas, F. III; Bishop, M.J.; Bigham, E.C.; Garrison, D.T.; Drewry, D.H.; Speake, J.D. (Glaxo Group Ltd.); Imidazoline derivs. as alpha-1A adrenoceptor ligands. WO 0066563 .

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)	49148	2-(Methylthio)aniline; o-Aminothioanisole; o-Thioanisidine; 2-Aminothioanisole; 2-Methylmercaptoaniline; o-(methylthio)aniline	2987-53-3	C₇H₉NS	详情	详情
(II)	17330	2-(chloromethyl)-4,5-dihydro-1H-imidazole		C₄H₇ClN₂	详情	详情
(III)	49149	N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-[2-(methylsulfanyl)phenyl]amine; N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(methylsulfanyl)aniline		C₁₁H₁₅N₃S	详情	详情

Extended Information