2-chloro-1-(2,6-difluorophenyl)-1-ethanone -Drug Synthesis Database

【结构式】

【分子编号】32560

【品名】2-chloro-1-(2,6-difluorophenyl)-1-ethanone

【CA登记号】

【分子式】C₈H₅ClF₂O

【分子量】190.5766064

【元素组成】C 50.42% H 2.64% Cl 18.6% F 19.94% O 8.4%

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：(V)

Treatment of 1-(4-aminophenyl)-4-methylpiperazine (I) with thiophosgene and Na2CO3 afforded isothiocyanate (II). Subsequent condensation of (II) with cyanamide in the presence of potassium tert-butoxide, followed by reaction of the resulting intermediate (IV) with 2-chloro-2',6'-difluoroacetophenone (V) produced the title aminothiazole.

参考文献中间体

合成目标

【1】 Yang, Y.; Xiao, W.; Chu, S.S.; Li, L.; Chong, W.K.M.; Duvadie, R.R. (Agouron Pharmaceuticals, Inc.); 4-Aminothiazole derivs., their preparation and their use as inhibitors of cyclin-dependent kinases. WO 9921845 .

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)	31836	4-(4-methyl-1-piperazinyl)phenylamine; 4-(4-methyl-1-piperazinyl)aniline		C₁₁H₁₇N₃	详情	详情
(II)	32558	4-(4-methyl-1-piperazinyl)phenyl isothiocyanate; 1-(4-isothiocyanatophenyl)-4-methylpiperazine		C₁₂H₁₅N₃S	详情	详情
(III)	19648	Cyanamide	420-04-2	CH₂N₂	详情	详情
(IV)	32559	N-cyano-N'-[4-(4-methyl-1-piperazinyl)phenyl]thiourea		C₁₃H₁₇N₅S	详情	详情
(V)	32560	2-chloro-1-(2,6-difluorophenyl)-1-ethanone		C₈H₅ClF₂O	详情	详情

Extended Information