|
【结 构 式】 
|
【分子编号】51998 【品名】3-Methyl-4-nitrobenzamide 【CA登记号】99584-85-7 |
【 分 子 式 】C8H8N2O3 【 分 子 量 】180.1632 【元素组成】C 53.33% H 4.48% N 15.55% O 26.64% |
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 reaction of 5-fluorobenzothiazol-2-amine (I) with KOH in refluxing water gives the disulfide (II), which is treated with 3-methyl-4-nitrobenzoyl chloride (III) in refluxing pyridine to yield the bis-benzamide (IV). Finally, this compound is reductively cyclized by reaction with SnCl2 and HCl in ethanol/water to afford the target aminophenyl benzothiazole.
| 【1】 Chua, M.-S.; Westwell, A.D.; Hutchinson, I.P.; Stevens, M.F.G.; Poole, T.D. (Cancer Research Campaign Technology Ltd.); Substd. 2-arylbenzazole cpds. and their use as antitumour agents. WO 0114354 . |
| 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) | 47594 | 5-fluoro-1,3-benzothiazol-2-amine; 5-fluoro-1,3-benzothiazol-2-ylamine | C7H5FN2S | 详情 | 详情 | |
| (II) | 47595 | 2-[(2-amino-4-fluorophenyl)disulfanyl]-5-fluoroaniline; 2-[(2-amino-4-fluorophenyl)disulfanyl]-5-fluorophenylamine | C12H10F2N2S2 | 详情 | 详情 | |
| (III) | 51998 | 3-Methyl-4-nitrobenzamide | 99584-85-7 | C8H8N2O3 | 详情 | 详情 |
| (IV) | 47597 | N-[5-fluoro-2-([4-fluoro-2-[(3-methyl-4-nitrobenzoyl)amino]phenyl]disulfanyl)phenyl]-3-methyl-4-nitrobenzamide | C28H20F2N4O6S2 | 详情 | 详情 |
Extended Information