2-cyano-N-[4-(trifluoromethoxy)phenyl]acetamide -Drug Synthesis Database

【结构式】

【分子编号】22808

【品名】2-cyano-N-[4-(trifluoromethoxy)phenyl]acetamide

【CA登记号】

【分子式】C₁₀H₇F₃N₂O₂

【分子量】244.1730696

【元素组成】C 49.19% H 2.89% F 23.34% N 11.47% O 13.1%

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)

Two synthetic ways have been reported for the compound. Coupling of cyanoacetic acid (II) to 4-(trifluoromethoxy)aniline (I) in the presence of diisopropylcarbodiimide formed the cyanoacetamide (III), which was treated with NaH and then acylated with acetyl chloride to yield the title compound.

参考文献中间体

合成目标

【1】 Ghosh, S.; Zheng, Y.; Jun, X.; Narla, R.K.; Mahajan, S.; Navara, C.; Mao, C.; Sudbeck, E.A.; Uckun, F.M.; alpha-Cyano-beta-hydroxy-beta-methyl-N-[4-(trifluoromethoxy)phenyl]propenamide: An inhibitor of the epidermal growth factor receptor tyrosine kinase with potent cytotoxic activity. Clin Cancer Res 1998, 4, 11, 2657.
【2】 Ghosh, S.; Uckun, F.M.; Zheng, Y. (Parker Hughes Institute); Inhibitors of the EGF-receptor tyrosine kinase and their use. WO 0056703 .

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)	11131	4-(Trifluoromethoxy)aniline; 4-(Trifluoromethoxy)phenylamine	461-82-5	C₇H₆F₃NO	详情	详情
(I)	12591	Cyanoacetic Acid; 2-Cyanoacetic acid	372-09-8	C₃H₃NO₂	详情	详情
(III)	22808	2-cyano-N-[4-(trifluoromethoxy)phenyl]acetamide		C₁₀H₇F₃N₂O₂	详情	详情

Extended Information