1-[({[amino(imino)methyl]amino}carbothioyl)amino]-4-chlorobenzene -Drug Synthesis Database

【结构式】

【分子编号】53540

【品名】1-[({[amino(imino)methyl]amino}carbothioyl)amino]-4-chlorobenzene

【CA登记号】n/a

【分子式】C₈H₉ClN₄S

【分子量】228.70512

【元素组成】C 42.01% H 3.97% Cl 15.5% N 24.5% S 14.02%

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：(I)

The reaction of N1-amidino-N3-(4-chlorophenyl)thiourea (I) with 3-(benzyloxy)phenacyl bromide (II) in ethanol/acetone gives the N1-amidino-S-[2-(3-benzyloxyphenyl)-2-oxoethyl]-N3-(4-chlorophenyl)isothiourea (III), which without isolation is cyclized to the target aminothiazole by means of TEA.

参考文献中间体

合成目标

【1】 Sorensen, A.R.; Engelhardt, S.; Kurtzhals, P.; Urso, B.; Bowler, A.N.; 2,4-Diaminothiazoles: A novel class of glycogen synthase kinase-3 (GSK-3) inhibitors. 11th RSC-SCI Med Chem Symp (Sept 9 2001, Cambridge) 2001, Abst P20.
【2】 Olesen, P.H.; Kurtzhals, P.; Bowler, A.N.; Soerensen, A.R.; Worsaae, H.; Hansen, B.F. (Novo Nordisk A/S); 2,4-Diaminothiazole derivs.. WO 0156567 .

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)	53540	1-[({[amino(imino)methyl]amino}carbothioyl)amino]-4-chlorobenzene	n/a	C₈H₉ClN₄S	详情	详情
(II)	53541	1-[3-(benzyloxy)phenyl]-2-bromo-1-ethanone	n/a	C₁₅H₁₃BrO₂	详情	详情
(III)	53544	N-[(Z)-({2-[3-(benzyloxy)phenyl]-2-oxoethyl}sulfanyl)(4-chloroanilino)methylidene]guanidine	n/a	C₂₃H₂₁ClN₄O₂S	详情	详情

Extended Information