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【结 构 式】 
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【分子编号】46845 【品名】3,5-Dichloroisatoic anhydride; 6,8-dichloro-2H-3,1-benzoxazine-2,4(1H)-dione 【CA登记号】4693-00-9 |
【 分 子 式 】C8H3Cl2NO3 【 分 子 量 】232.02216 【元素组成】C 41.41% H 1.3% Cl 30.56% N 6.04% O 20.69% |
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：(V)The condensation of mercapto benzothiazole (I) with 4-fluoronitrobenzene (II) afforded the 4-nitrophenyl thioether (III). After reduction of the nitro group of (III) with iron in HOAc, the resulting aniline (IV) was acylated with the dichloroisatoic anhydride (V) to produce the anthranylamide (VI). This was finally condensed with 3,5-dichloro-2-hydroxybenzenesulfonyl chloride (VII) to yield the corresponding sulfonamide.
| 【1】 Dumas, J.; Witowsky, J.; Hatoum-Mokdad, H.; Sibley, R.; Chen, J.; Dixon, B.; Wong, S.; Konig, G.; Britelli, D.; Synthesis and structure activity relationships of novel small molecule cathepsin D inhibitors. Bioorg Med Chem Lett 1999, 9, 17, 2531. |
| 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) | 34296 | 6-ethoxy-1,3-benzothiazol-2-ylhydrosulfide; 6-ethoxy-1,3-benzothiazole-2-thiol | 120-53-6 | C9H9NOS2 | 详情 | 详情 |
| (II) | 14153 | 4-Fluoronitrobenzene; 1-Fluoro-4-nitrobenzene | 350-46-9 | C6H4FNO2 | 详情 | 详情 |
| (III) | 46843 | 6-ethoxy-2-[(4-nitrophenyl)sulfanyl]-1,3-benzothiazole; ethyl 2-[(4-nitrophenyl)sulfanyl]-1,3-benzothiazol-6-yl ether | C15H12N2O3S2 | 详情 | 详情 | |
| (IV) | 46844 | 4-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]aniline; 4-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]phenylamine | C15H14N2OS2 | 详情 | 详情 | |
| (V) | 46845 | 3,5-Dichloroisatoic anhydride; 6,8-dichloro-2H-3,1-benzoxazine-2,4(1H)-dione | 4693-00-9 | C8H3Cl2NO3 | 详情 | 详情 |
| (VI) | 46846 | 2-amino-3,5-dichloro-N-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]phenyl]benzamide | C22H17Cl2N3O2S2 | 详情 | 详情 | |
| (VII) | 46847 | 3,5-dichloro-2-hydroxybenzenesulfonyl chloride | 23378-88-3 | C6H3Cl3O3S | 详情 | 详情 |
Extended Information