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【结 构 式】

【分子编号】34072

【品名】[[(E)-(methylamino)(methylsulfanyl)methylidene]amino](nitrilo)methane

【CA登记号】

【 分 子 式 】C4H7N3S

【 分 子 量 】129.1858

【元素组成】C 37.19% H 5.46% N 32.53% S 24.82%

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:(B)

1) By refluxing N-cyano-N',S-dimethylisoithiourea (B) and 5-methyl-4-[(2-aminoethyl)thiomethyl imidazol (III) in acetonitrile. The latter is prepared by reacting cysteamine (A) and 5-methyl-4-(hydroxymethyl)imidazol (II) (from 5-methylimidazol (I) and formalin) in acetic acid, in hydrochloric acid or in hydrobromic acid. 2) By reaction of 5-methyl-4-[(2-aminoethyl)thiomethyl]imidazol (III) with cyanodithioimido carbonic (C) acid dimethyl ester to give the isothiourea (IV), followed by reaction with methylamine. 3) By refluxing 1-methyl-3-[2-[[(5-methylimidazol-4-yl)-methyl]thio]ethyl]-2-thiourea (metiamide) (V) and lead cyanamide. The first is prepared by reaction of 5-methyl-4-[(2-aminoethyl)thiomethyl]imidazol (III) with methyl isocyanate (D).

1 Durant, G.J.; et al.; Pharmacologically active guanidine compounds. DE 2211454; DE 2265369; FR 2128505; GB 1338169; US 3950333 .
2 Erlenmeyer, H.; et al.; Helv Chim Acta 1948, 31, 32.
3 Durant, G.J.; et al.; Certain N-cyanoguanidines. DE 2344779; FR 2199467; GB 1397436; JP 49075574; US 3876647 .
4 Castaner, J.; Cimetidine. Drugs Fut 1976, 1, 1, 13.
中间体序号 中间体编号 品名 CAS号 分子式 供应商 用于合成
(D) 12092 Methyl isothiocyanate; MITC; (Methylimino)(thioxo)methane 556-61-6 C2H3NS 详情 详情
(A) 13186 2-Aminoethanethiol; 2-Amino-1-ethanethiol; 2-Aminoethylhydrosulfide; Cysteamine 60-23-1 C2H7NS 详情 详情
(B) 34072 [[(E)-(methylamino)(methylsulfanyl)methylidene]amino](nitrilo)methane C4H7N3S 详情 详情
(I) 34070 5-methyl-1H-imidazole 822-36-6 C4H6N2 详情 详情
(II) 14216 (5-Methyl-1H-imidazol-4-yl)methanol 29636-87-1 C5H8N2O 详情 详情
(III) 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
(IV) 34073 4-[[(2-[[(cyanoimino)(methylsulfanyl)methyl]amino]ethyl)sulfanyl]methyl]-5-methyl-1H-imidazole C10H15N5S2 详情 详情
(V) 34074 N-methyl-N'-(2-[[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl]ethyl)thiourea C9H16N4S2 详情 详情
(C) 18174 [[bis(methylsulfanyl)methylene]amino](nitrilo)methane 10191-60-3 C4H6N2S2 详情 详情
Extended Information