3-[[(cyanoimino)(methylsulfanyl)methyl]amino]-1-propyne -Drug Synthesis Database

【结构式】

【分子编号】37101

【品名】3-[[(cyanoimino)(methylsulfanyl)methyl]amino]-1-propyne

【CA登记号】

【分子式】C₆H₇N₃S

【分子量】153.2078

【元素组成】C 47.04% H 4.61% N 27.43% S 20.93%

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)

The reaction of propargylamine (II) with dimethyl cyanoiminodithiocarbonate (III) in refluxing acetonitrile gives N-cyano-N'-propargyl-S-methylisothiourea (IV), which is then condensed with 2-[(5-methyl-4-imidazolyl)methylthio]ethylamine (V) in refluxing methanol.

参考文献中间体

合成目标

【1】 Crenshaw, R.R.; Luke, G.M. (Bristol-Myers Squibb Co.); Imidazolylmethylthioethyl alkynyl guanidines. US 4112234 .
【2】 Serradell, M.N.; Blancafort, P.; Castaner, J.; Etintidine hydrochloride. Drugs Fut 1982, 7, 10, 732.

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)	18174	[[bis(methylsulfanyl)methylene]amino](nitrilo)methane	10191-60-3	C₄H₆N₂S₂	详情	详情
(II)	21408	2-propyn-1-amine; 2-propynylamine; 2-propylamine	2450-71-7	C₃H₅N	详情	详情
(III)	37101	3-[[(cyanoimino)(methylsulfanyl)methyl]amino]-1-propyne		C₆H₇N₃S	详情	详情
(IV)	34071	2-[[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl]-1-ethanamine; 2-[[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl]ethylamine		C₇H₁₃N₃S	详情	详情

Extended Information