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

【结构式】

【分子编号】54418

【品名】2-chloro-1,3-cyclohexanedione

【CA登记号】

【分子式】C₆H₇ClO₂

【分子量】146.57308

【元素组成】C 49.17% H 4.81% Cl 24.19% O 21.83%

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)

The chlorination of cyclohexane-1,3-dione (I) with chloramine T in acetonitrile gives 2-chlorocyclohexane-1,3-dione (II), which is finally condensed with cyclopropanecarbonyl chloride (III) by means of potassium tert-butoxide in THF to yield the target cyclohexenyl ester.

参考文献中间体

合成目标

【1】 Wu, C.-S.; Huang, J.-L.; Sun, Y.-S.; Yang, D.-Y.; Lin, S.-W.; Lin, Y.-L.; SAR studies of 3-cyclopropanecarbonyloxy-2-cyclohexen-1-one as inhibitors of 4-hydroxyphenylpyruvate dioxygenase. Bioorg Med Chem 2002, 10, 3, 685.

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)	11244	1,3-Cyclohexanedione	504-02-9	C₆H₈O₂	详情	详情
(II)	54418	2-chloro-1,3-cyclohexanedione		C₆H₇ClO₂	详情	详情
(III)	14061	Cyclopropanecarbonyl chloride; Cyclopropanecarboxylic acid chloride	4023-34-1	C₄H₅ClO	详情	详情

Extended Information