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【结 构 式】 
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【分子编号】46954 【品名】N-(2-bromo-5-fluorophenyl)-3-methyl-4-nitrobenzenecarbothioamide 【CA登记号】 |
【 分 子 式 】C14H10BrFN2O2S 【 分 子 量 】369.2140832 【元素组成】C 45.54% H 2.73% Br 21.64% F 5.15% N 7.59% O 8.67% S 8.68% |
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：(IV)Jacobsen radical cyclization of thiobenzanilide (I) in the presence of potassium ferricyanide produced a mixture of the desired benzothiazole (III) and minor amounts of its regioisomer (II). An alternative regiospecific synthesis of (III) consisted in the intramolecular cyclization of the ortho-bromo thiobenzanilide (IV) by means of NaH in hot NMP. Further reduction of the nitro group of (III) using SnCl2 in EtOH gave the desired amino compound.
| 【1】 Hutchinson, I.; et al.; The regiospecific synthesis of 5- and 7-monosubstituted and 5,6-disubstituted 2-arylbenzothiazoles. Tetrahedron Lett 2000, 41, 3, 425. |
| 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) | 46951 | N-(3-fluorophenyl)-3-methyl-4-nitrobenzenecarbothioamide | C14H11FN2O2S | 详情 | 详情 | |
| (II) | 46952 | 7-fluoro-2-(3-methyl-4-nitrophenyl)-1,3-benzothiazole | C14H9FN2O2S | 详情 | 详情 | |
| (III) | 46953 | 5-fluoro-2-(3-methyl-4-nitrophenyl)-1,3-benzothiazole | C14H9FN2O2S | 详情 | 详情 | |
| (IV) | 46954 | N-(2-bromo-5-fluorophenyl)-3-methyl-4-nitrobenzenecarbothioamide | C14H10BrFN2O2S | 详情 | 详情 |
Extended Information