S-[(4aS,4bR,5R,10aR,10bS,12aS)-10a,12a-dimethyl-1,8-dioxo-3,4,4a,4b,5,6,8,10a,10b,11,12,12a-dodecahydro-1H-naphtho[2,1-f]isochromen-5-yl] ethanethioate -Drug Synthesis Database

【结构式】

【分子编号】46698

【品名】S-[(4aS,4bR,5R,10aR,10bS,12aS)-10a,12a-dimethyl-1,8-dioxo-3,4,4a,4b,5,6,8,10a,10b,11,12,12a-dodecahydro-1H-naphtho[2,1-f]isochromen-5-yl] ethanethioate

【CA登记号】

【分子式】C₂₁H₂₆O₄S

【分子量】374.50104

【元素组成】C 67.35% H 7% O 17.09% S 8.56%

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)

Treatment of D-homo-17-oxaandrosta-1,4,6-triene-3,17a-dione (I) with refluxing thioacetic acid (II) yields either 7-alpha-(acetylthio) derivative (III) or 1alpha,7alpha-bis(acetylthio) derivative (IV). The desired product can then be obtained either by treatment of (III) with NaOH in THF or by reaction of (IV) with sodium methylate in methanol.

参考文献中间体

合成目标

【1】 Koizumi, N.; Takegawa, S.; Iwashita, S.; Kawachi, T.; Inoue, F.; Honma, S.; Takahashi, H.; Mieda, M.; Ueda, K.; Shibata, K. (Teikoku Hormone Manufacturing Co., Ltd.); Novel 7-substd. oxa- or azasteroid cpd.. EP 0663402; JP 1994508897; US 5539127; WO 9407908 .

中间体序号	中间体编号	品名	分子式	供应商	用于合成
(I)	46697	(4aS,4bR,10aS,10bS,12aS)-10a,12a-dimethyl-3,4,4a,10a,10b,11,12,12a-octahydro-1H-naphtho[2,1-f]isochromene-1,8(4bH)-dione	C₁₉H₂₂O₃	详情	详情
(II)	12893	Ethanethioic S-acid	C₂H₄OS	详情	详情
(III)	46698	S-[(4aS,4bR,5R,10aR,10bS,12aS)-10a,12a-dimethyl-1,8-dioxo-3,4,4a,4b,5,6,8,10a,10b,11,12,12a-dodecahydro-1H-naphtho[2,1-f]isochromen-5-yl] ethanethioate	C₂₁H₂₆O₄S	详情	详情
(IV)	46699	S-[(4aS,4bS,5R,10S,10aR,10bS,12aS)-10-(acetylsulfanyl)-10a,12a-dimethyl-1,8-dioxo-3,4,4a,4b,5,6,8,9,10,10a,10b,11,12,12a-tetradecahydro-1H-naphtho[2,1-f]isochromen-5-yl] ethanethioate	C₂₃H₃₀O₅S₂	详情	详情

Extended Information