3-[(2-chloro-9H-purin-6-yl)amino]benzonitrile -Drug Synthesis Database

【结构式】

【分子编号】48922

【品名】3-[(2-chloro-9H-purin-6-yl)amino]benzonitrile

【CA登记号】

【分子式】C₁₂H₇ClN₆

【分子量】270.68072

【元素组成】C 53.25% H 2.61% Cl 13.1% N 31.05%

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：(III)

Condensation between dichloropurine (I) and substituted aniline (II) in pentanol affords derivative (III), which is then alkylated with ethyl iodide (IV) by means of Cs2CO3 in DMF to provide purine (V). Finally, the desired compound is obtained by attack of amine (VI) and displacement of the chlorine atom of derivative (V) in diglyme.

参考文献中间体

合成目标

【1】 Bruggen, J.; Caravatti, G.; Capraro, H.-G.; et al.; Chemistry and biological characterization of CGP79807, a highly selective CDK1/2 inhibitor. 221st ACS Natl Meet (April 1 2001, San Diego) 2001, Abst MEDI 150.

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)	25254	2,6-dichloro-9H-purine	5451-40-1	C₅H₂Cl₂N₄	详情	详情
(II)	28662	3-aminobenzonitrile	2237-30-1	C₇H₆N₂	详情	详情
(III)	48922	3-[(2-chloro-9H-purin-6-yl)amino]benzonitrile		C₁₂H₇ClN₆	详情	详情
(IV)	10925	Iodoethane;ethyl iod	75-03-6	C₂H₅I	详情	详情
(V)	48923	3-[(2-chloro-9-ethyl-9H-purin-6-yl)amino]benzonitrile		C₁₄H₁₁ClN₆	详情	详情
(VI)	19581	trans-4-Aminocyclohexanol；trans-4-Amino-1-cyclohexanol;trans-4-Amino-1-cyclohexanol;	27489-62-9	C₆H₁₃NO	详情	详情

Extended Information