2-(3,5-dimethoxyphenyl)acetonitrile -Drug Synthesis Database

【结构式】

【分子编号】26526

【品名】2-(3,5-dimethoxyphenyl)acetonitrile

【CA登记号】13388-75-5

【分子式】C₁₀H₁₁NO₂

【分子量】177.20288

【元素组成】C 67.78% H 6.26% N 7.9% O 18.06%

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：(II)

Condensation of pyrimidine carboxaldehyde (I) with 3,5-dimethoxy-phenylacetonitrile (II) using NaH in 2-ethoxyethanol provided the pyridopyrimidine (III). Then, regioselective condensation of (III) with tert-butyl isocyanate at the 7-amino group in the presence of NaH in DMF furnished the corresponding urea.

参考文献中间体

合成目标

【1】 Connolly, C.J.C.; Schroeder, M.C.; Hamby, J.M.; et al.; Structure-activity relationships for a novel series of pyrido[2,3-d]pyrimidine tyrosine kinase inhibitors. J Med Chem 1997, 40, 15, 2296.
【2】 Hamby, J.M.; Connolly, C.J.C.; Schroeder, M.C.; et al.; Discovery and structure-activity studies of a novel series of pyrido[2,3-d]pyrimidine tyrosine kinase inhibitors. Bioorg Med Chem Lett 1997, 7, 18, 2415.

中间体序号	中间体编号	品名	CAS号	分子式	供应商	用于合成
	16976	tert-butylisocyanate; tert-butyl isocyanate; 2-isocyanato-2-methylpropane	1609-86-5	C₅H₉NO	详情	详情
(I)	26525	2,4-diamino-5-pyrimidinecarbaldehyde		C₅H₆N₄O	详情	详情
(II)	26526	2-(3,5-dimethoxyphenyl)acetonitrile	13388-75-5	C₁₀H₁₁NO₂	详情	详情
(III)	26527	2-amino-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-ylamine		C₁₅H₁₅N₅O₂	详情	详情

Extended Information