Letrozole, FEM-345, CGS-20267, Femara, -Drug Synthesis Database

【结构式】

【药物名称】Letrozole, FEM-345, CGS-20267, Femara

【化学名称】1-[Bis(4-cyanophenyl)methyl]-1,2,4-triazole
　　　　　　4-[1-(4-Cyanophenyl)-1-(1,2,4-triazol-1-yl)methyl]benzonitrile
　　　　　　4,4'-(1H-1,2,4-Triazol-1-ylmethylene)bisbenzonitrile

【CA登记号】112809-51-5

【分子式】C₁₇H₁₁N₅

【分子量】285.31072

【开发单位】Novartis (Originator), Chugai (Codevelopment)

【药理作用】Breast Cancer Therapy, Oncolytic Drugs, Aromatase Inhibitors

合成路线1

Reaction of 4-bromomethylbenzonitrile (I) with 1,2,4-triazole (II) in chloroform - acetonitrile gives 1-(4-cyanophenyl)methyl-1,2,4-triazole (III), which is treated with potassium tert-butoxide and 4-fluorobenzonitrile (IV) in DMF.

参考文献中间体

【1】 Bowman, R.M.; Steele, R.E.; Browne, L.J. (Novartis AG); Alpha-heterocycle substd. Tolunitriles. EP 0236940; JP 1987212369 .
【2】 Graul, A.; Castaner, J.; Prous, J.; Letrozole. Drugs Fut 1994, 19, 4, 335.

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)	14132	4-Chloro-1H-pyrazole	15878-00-9	C₃H₃ClN₂	详情	详情
(I)	14200	4-(Bromomethyl)benzonitrile; alpha-Bromo-p-tolunitrile	17201-43-3	C₈H₆BrN	详情	详情
(II)	13135	1H-1,2,4-Triazole; 1,2,4-Triazole	288-88-0	C₂H₃N₃	详情	详情
(III)	14202	4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile		C₁₀H₈N₄	详情	详情
(IV)	14144	4-Fluorobenzonitrile	1194-02-1	C₇H₄FN	详情	详情

Extended Information