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【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.

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 CAS号 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
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