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【结 构 式】 
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【分子编号】51426 【品名】methyl 3-oxopropanoate 【CA登记号】 |
【 分 子 式 】C4H6O3 【 分 子 量 】102.08984 【元素组成】C 47.06% H 5.92% O 47.02% |
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：(II)The cyclization of the chlorooxime (I) with formylacetic methyl ester (II) by means of diazomethane and TEA gives the 3-(3-cyanophenyl)isoxazole-4-carboxylic acid methyl ester (III), which is condensed with 4'-amino-N-tert-butylbiphenyl-2-sulfonamide (IV) by means of AlMe3 to yield the corresponding amide (V). The methanolysis of the cyano group of (V) with HCl and methanol affords the iminoester (VI), which is finally converted into the target amidine by reaction with ammonium carbonate.
| 【1】 Bostrom, L.L.; Knabb, R.M.; Wong, P.C.; Pinto, D.J.; Estrella, M.J.; Wexler, R.R.; Pruitt, J.R.; Wright, M.R.; Isoxazolines and isoxazoles as factor Xa inhibitors. Bioorg Med Chem Lett 2000, 10, 8, 685. |
| 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) | 23358 | 3-cyano-N-hydroxybenzenecarboximidoyl chloride | C8H5ClN2O | 详情 | 详情 | |
| (II) | 51426 | methyl 3-oxopropanoate | C4H6O3 | 详情 | 详情 | |
| (III) | 23360 | methyl 3-(3-cyanophenyl)-4-isoxazolecarboxylate | C12H8N2O3 | 详情 | 详情 | |
| (IV) | 23363 | 4'-amino-N-(tert-butyl)[1,1'-biphenyl]-2-sulfonamide | C16H20N2O2S | 详情 | 详情 | |
| (V) | 23365 | N-[2'-[(tert-butylamino)sulfonyl][1,1'-biphenyl]-4-yl]-3-(3-cyanophenyl)-4-isoxazolecarboxamide | C27H24N4O4S | 详情 | 详情 | |
| (VI) | 23366 | methyl 3-[4-([[2'-(aminosulfonyl)[1,1'-biphenyl]-4-yl]amino]carbonyl)-3-isoxazolyl]benzenecarboximidoate | C24H20N4O5S | 详情 | 详情 |
Extended Information