5-bromo-2,4,6-trichloropyrimidine -Drug Synthesis Database

【结构式】

【分子编号】46616

【品名】5-bromo-2,4,6-trichloropyrimidine

【CA登记号】

【分子式】C₄BrCl₃N₂

【分子量】262.31958

【元素组成】C 18.32% Br 30.46% Cl 40.55% N 10.68%

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 5-bromo-2,4,6-trichloropyrimidine (I) with 4-aminobenzonitrile (II) by means of DIEA in refluxing dioxane gives the diarylamine (III), which is condensed with 4-hydroxy-3,5-dimethylbenzonitrile (IV) by means of NaH in NMP to yield the corresponding adduct (V). Finally, this compound is treated with ammonia in dioxane at 150 C in a pressure vessel.

参考文献中间体

合成目标

【1】 Heeres, J.; De Corte, B.; Kukla, M.J.; Van Aken, K.J.A.; Janssen, P.A.J.; Ludovici, D.W.; De Jonge, M.R.; Kavash, R.W.; Ho, C.Y.; Koymans, L.M.H. (Janssen Pharmaceutica NV); HIV replication inhibiting pyrimidines. EP 1002795; WO 0027825 .

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)	46616	5-bromo-2,4,6-trichloropyrimidine		C₄BrCl₃N₂	详情	详情
(II)	15361	4-Aminobenzonitrile	873-74-5	C₇H₆N₂	详情	详情
(III)	46617	4-[(5-bromo-4,6-dichloro-2-pyrimidinyl)amino]benzonitrile		C₁₁H₅BrCl₂N₄	详情	详情
(IV)	31141	4-Hydroxy-3,5-dimethylbenzonitrile; 2,6-Dimethyl-4-hydroxybenzonitrile	4198-90-7	C₉H₉NO	详情	详情
(V)	46618	4-[[5-bromo-6-chloro-2-(4-cyanoanilino)-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile		C₂₀H₁₃BrClN₅O	详情	详情

Extended Information