8-methoxy-2,3-dihydro-4H-thiochromen-4-one -Drug Synthesis Database

【结构式】

【分子编号】24072

【品名】8-methoxy-2,3-dihydro-4H-thiochromen-4-one

【CA登记号】

【分子式】C₁₀H₁₀O₂S

【分子量】194.2542

【元素组成】C 61.83% H 5.19% O 16.47% S 16.51%

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 cyclization of 3-(2-methoxyphenylthio)propionic acid (II) with PPA yields 8 methoxythiochroman-4-one (III). Thiochromanone (III) is then reduced to 8-hydroxythiochromane (IV) by the Wolff-Kishner reduction method. Demethylation is almost complete during this reduction. The 8-hydroxythiochromane (IV), treated with epichlorohydrin, yields the corresponding epoxide (V), which when treated with excess tert-butylamine yields tertatolol base.

参考文献中间体

合成目标

【1】 Leclerc, G.; Tertatolol hydrochloride. Drugs Fut 1986, 11, 2, 131.

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)	24070	2-methoxyphenylhydrosulfide	7217-59-6	C₇H₈OS	详情	详情
(II)	24071	3-[(2-methoxyphenyl)sulfanyl]propionic acid		C₁₀H₁₂O₃S	详情	详情
(III)	24072	8-methoxy-2,3-dihydro-4H-thiochromen-4-one		C₁₀H₁₀O₂S	详情	详情
(IV)	24073	8-thiochromanol		C₉H₁₀OS	详情	详情
(V)	24074	2-[(3,4-dihydro-2H-thiochromen-8-yloxy)methyl]oxirane		C₁₂H₁₄O₂S	详情	详情

Extended Information