(10R,13S,16R,17R)-17-(2-chloroacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,10,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-17-yl 2-furoate -Drug Synthesis Database

【结构式】

【分子编号】45435

【品名】(10R,13S,16R,17R)-17-(2-chloroacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,10,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-17-yl 2-furoate

【CA登记号】83880-65-3

【分子式】C₂₇H₂₉ClO₅

【分子量】468.97696

【元素组成】C 69.15% H 6.23% Cl 7.56% O 17.06%

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：(III)

The esterification of 21-chloro-17alpha-hydroxy-16alpha-methyl-1,4,9(11)-pregnatriene-3,20-dione (I) with 2-furoyl chloride (II) by means of TEA gives the corresponding ester (III), which is then treated with HClO4 and 1,3-dichloro-5,5-dimethylhydantoin (DDH) in THF/water in order to add Cl-OH to the 9(11)-double bond of ester (III).

参考文献中间体

合成目标

【1】 Shapiro, E.L. (Schering Corp.); 3,20-Dioxo-1,4-pregnanediene-17alpha-ol 17-aromatic heterocycle carboxylates. EP 0057401; US 4472393 .

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)	45434	(10R,13S,16R,17R)-17-(2-chloroacetyl)-17-hydroxy-10,13,16-trimethyl-6,7,8,10,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-3-one		C₂₂H₂₇ClO₃	详情	详情
(II)	26093	2-Furoyl chloride	527-69-5	C₅H₃ClO₂	详情	详情
(III)	45435	(10R,13S,16R,17R)-17-(2-chloroacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,10,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-17-yl 2-furoate	83880-65-3	C₂₇H₂₉ClO₅	详情	详情

Extended Information