methyl 2-[[(2-imino-2H-chromen-3-yl)carbonyl]amino]benzoate -Drug Synthesis Database

【结构式】

【分子编号】38410

【品名】methyl 2-[[(2-imino-2H-chromen-3-yl)carbonyl]amino]benzoate

【CA登记号】

【分子式】C₁₈H₁₄N₂O₄

【分子量】322.32024

【元素组成】C 67.08% H 4.38% N 8.69% O 19.86%

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)

The cyclization of 2-hydroxybenzaldehyde (I) with 2-(cyanacetamido)benzoic acid methyl ester (II) catalyzed by piperidine in ethanol gives the 2-imino-1-benzopyran (III), which is then hydrolyzed to the target benzopyranone with HCl in refluxing ethanol/water.

参考文献中间体

合成目标

【1】 Vasylyev, M.V.; Bilokin, Y.V.; Bylov, I.E.; Synthesis and antiinflammatory activity of N-substituted 2-oxo-2H-1-benzopyran-3-carboxamides and their 2-iminoanalagues. Eur J Med Chem 1999, 34, 11, 997.

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)	21351	2-Hydroxybenzaldehyde;Salicylic aldehyde；2-Formylphenol;salicylaldehyde	90-02-8	C₇H₆O₂	详情	详情
(II)	38049	1-[4-([[tert-butyl(dimethyl)silyl]oxy]methyl)phenyl]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-ethanol		C₂₀H₃₄O₄Si	详情	详情
(III)	38410	methyl 2-[[(2-imino-2H-chromen-3-yl)carbonyl]amino]benzoate		C₁₈H₁₄N₂O₄	详情	详情

Extended Information