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【结 构 式】 
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【分子编号】29062 【品名】(E)-4-[4-(methylsulfinyl)phenyl]-3-buten-2-one 【CA登记号】 |
【 分 子 式 】C11H12O2S 【 分 子 量 】208.28108 【元素组成】C 63.43% H 5.81% O 15.36% S 15.4% |
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)Reaction of 4-methylthiobenzaldehyde (I) with acetone (A) affords in a 90% yield E-4-methylmercaptophenyl-3-buten-2-one (II), which is oxidized by sodium periodate to the sulfoxide (III) in a 55% yield without forming any sulfone as byproduct. The sulfoxide then reacts with 4-hydroxycumarin without solvent at 140 C to form methylsulfinylwarifarin. The compound is purified by extraction from ether with a 1% sodium hydroxide solution and then precipitated with 10% hydrochloric acid. The yield of the last step is 30% of theory.
| 【1】 Rehse, K.; Methylsulfinylwarfarin. Drugs Fut 1985, 10, 3, 205. |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (A) | 23199 | 2-Propanone; Acetone; beta-ketopropane; chevron acetone;propan-2-one； Dimethyl formaldehyde; Dimethyl ketone; dimethylketal; Ketone propane; Methyl ketone; Propanone; Pyroacetic acid; Pyroacetic ether | 67-64-1 | C3H6O | 详情 | 详情 |
| (I) | 18815 | 4-(methylsulfanyl)benzaldehyde; 4-(methylmercapto)benzaldehyde | 3446-89-7 | C8H8OS | 详情 | 详情 |
| (II) | 29061 | (E)-4-[4-(methylsulfanyl)phenyl]-3-buten-2-one | C11H12OS | 详情 | 详情 | |
| (III) | 29062 | (E)-4-[4-(methylsulfinyl)phenyl]-3-buten-2-one | C11H12O2S | 详情 | 详情 | |
| (IV) | 29063 | 4-Hydroxycoumarine; 4-Hydroxy-2H-chromen-2-one; 4-hydroxy-2H-1-benzopyran-2-one; 4-oxocoumarin-3,4-dihydro-4-hydroxycoumarin; 4-hydroxy-2H-1-benzopyran-2-one | 1076-38-6 | C9H6O3 | 详情 | 详情 |
Extended Information