2-chloro-1,3-benzenediol -Drug Synthesis Database

【结构式】

【分子编号】33375

【品名】2-chloro-1,3-benzenediol

【CA登记号】

【分子式】C₆H₅ClO₂

【分子量】144.5572

【元素组成】C 49.85% H 3.49% Cl 24.53% O 22.14%

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：(I)

The cyclization of 2-chlororesorcine (I) with ethyl alpha-(beta-diethylaminoethyl) acetoacetate (II) by means of p-toluenesulfonic acid and polyphosphoric acid gives 8-chloro-3-(beta-diethylaminoethyl)-4-methyl-7-hydroxycoumarin (III), which is then condensed with ethyl chloroacetate (IV) by means of K2CO3 in refluxing acetone.

参考文献中间体

合成目标

【1】 Della Valle, F.; Selected process for producing monohalogenated derivatives of 7-hydroxy-coumarin. BE 0871315; DE 2846083; ES 474445; FR 2412541; FR 2412542; GB 2008109; JP 54079282; US 4296039 .
【2】 Castaner, J.; Hillier, K.; Serradell, M.N.; Blancafort, P.; AD-6. Drugs Fut 1979, 4, 10, 701.

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)	33375	2-chloro-1,3-benzenediol		C₆H₅ClO₂	详情	详情
(II)	33376	ethyl 2-[2-(diethylamino)ethyl]-3-oxobutanoate		C₁₂H₂₃NO₃	详情	详情
(III)	33377	8-chloro-3-[2-(diethylamino)ethyl]-7-hydroxy-4-methyl-2H-chromen-2-one		C₁₆H₂₀ClNO₃	详情	详情
(IV)	16601	ethyl chloroacetate; ethyl 2-chloroacetate	105-39-5	C₄H₇ClO₂	详情	详情

Extended Information