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【结 构 式】 
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【分子编号】52636 【品名】methyl 2-(octylsulfanyl)acetate 【CA登记号】 |
【 分 子 式 】C11H22O2S 【 分 子 量 】218.36048 【元素组成】C 60.51% H 10.16% O 14.65% S 14.68% |
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)Alkylation of methyl thioglycolate (I) with n-octyl bromide (II) gave the octyl thioether (III). The sulfide group was then oxidized to the sulfoxide (IV) by using either hydrogen peroxide in the presence of ammonium molybdate or m-chloroperbenzoic acid. The target amide was finally obtained by ammonolysis of the methyl ester function of (IV).
| 【1】 Parrish, N.M.; et al.; In vitro activity of a novel antimycobacterial compound, n-octanesulfonylacetamide, and its effects on lipid and mycolic acid synthesis. Antimicrob Agents Chemother 2001, 45, 4, 1143. |
| 【2】 Jones, P.B.; et al.; A new class of antituberculosis agents. J Med Chem 2000, 43, 17, 3304. |
| 【3】 Dick, J.D.; Parrish, N.M.; Townsend, C.A.; Kuhajda, F.P.; Pasternack, G.R. (Johns Hopkins University); Antimicrobial cpds.. JP 2001514168; WO 9910321 . |
| 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) | 18838 | methyl 2-sulfanylacetate | 2365-48-2 | C3H6O2S | 详情 | 详情 |
| (II) | 52464 | Octyl bromide; 1-Octyl bromide; 1-Bromooctane; Capryl bromide; n-Octyl bromide | 111-83-1 | C8H17Br | 详情 | 详情 |
| (III) | 52636 | methyl 2-(octylsulfanyl)acetate | C11H22O2S | 详情 | 详情 | |
| (IV) | 52637 | methyl 2-(octylsulfonyl)acetate | C11H22O4S | 详情 | 详情 |
Extended Information