N-(4-chloro-5,6-dimethyl-2-pyrimidinyl)-N-(4-fluorophenyl)amine; 4-chloro-N-(4-fluorophenyl)-5,6-dimethyl-2-pyrimidinamine -Drug Synthesis Database

【结构式】

【分子编号】54979

【品名】N-(4-chloro-5,6-dimethyl-2-pyrimidinyl)-N-(4-fluorophenyl)amine; 4-chloro-N-(4-fluorophenyl)-5,6-dimethyl-2-pyrimidinamine

【CA登记号】

【分子式】C₁₂H₁₁ClFN₃

【分子量】251.6906632

【元素组成】C 57.27% H 4.41% Cl 14.09% F 7.55% N 16.7%

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：(XV)

In an alternative procedure, 4-fluoroaniline (XI) was condensed with cyanamide under acidic conditions to afford the fluorophenyl guanidine (XII). Cyclization of guanidine (XII) with ethyl 2-methylacetoacetate (XIII) in hot DMF produced pyrimidine (XIV). After chlorination of (XIV) with POCl3, the resultant chloropyrimidine (XV) was condensed with tetrahydroisoquinoline (IV) in the presence of either KOAc or Et3N to furnish the title diaminopyrimidine.

参考文献中间体

合成目标

【1】 Lee, Y.N.; Hong, Y.W.; Kim, H.B. (Yuhan Corp.); Process for preparation of pyrmidine derivs.. US 5990311; WO 9742186 .

中间体序号	中间体编号	品名	CAS号	分子式	供应商	用于合成
(IV)	54971	1-methyl-1,2,3,4-tetrahydroisoquinoline		C₁₀H₁₃N	详情	详情
(XI)	37690	4-fluorophenylamine; 4-fluoroaniline	371-40-4	C₆H₆FN	详情	详情
(XII)	54977	N-(4-fluorophenyl)guanidine		C₇H₈FN₃	详情	详情
(XIII)	10362	ethyl 2-methyl-3-oxobutanoate; ethyl 2-methylacetoacetate	609-14-3	C₇H₁₂O₃	详情	详情
(XIV)	54978	2-(4-fluoroanilino)-5,6-dimethyl-4-pyrimidinol		C₁₂H₁₂FN₃O	详情	详情
(XV)	54979	N-(4-chloro-5,6-dimethyl-2-pyrimidinyl)-N-(4-fluorophenyl)amine; 4-chloro-N-(4-fluorophenyl)-5,6-dimethyl-2-pyrimidinamine		C₁₂H₁₁ClFN₃	详情	详情

Extended Information