|
【结 构 式】 
|
【分子编号】41956 【品名】4-[(5-chloro-2-methylphenyl)sulfanyl]nicotinic acid 【CA登记号】 |
【 分 子 式 】C13H10ClNO2S 【 分 子 量 】279.74664 【元素组成】C 55.82% H 3.6% Cl 12.67% N 5.01% O 11.44% S 11.46% |
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)Condensation of 4-chloronicotinic acid (I) with 5-chloro-2-methylthiophenol (II) led to thioether (III). Treatment of (III) with thionyl chloride, followed by Friedel-Crafts cyclization of the resulting acid chloride (IV) with AlCl3 in nitrobenzene at 100 C afforded the tricyclic compound (V). Finally, heating of (V) with N-(2-dimethylaminoethyl)hydrazine (VI) furnished the title compound.
| 【1】 Beggiolin, G.; Haydar, S.N.; Hacker, M.P.; Menta, E.; Truong-Chiott, S.; Krapcho, A.P.; Synthesis and antitumor activities of 5-methyl-1- and 2-[[2-dimethylaminoethyl]amino]-aza-thiopyranoindazoles. Bioorg Med Chem Lett 2000, 10, 3, 305. |
| 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) | 41954 | 4-chloronicotinic acid | 10177-29-4 | C6H4ClNO2 | 详情 | 详情 |
| (II) | 41955 | 5-chloro-2-methylphenylhydrosulfide; 5-chloro-2-methylbenzenethiol | C7H7ClS | 详情 | 详情 | |
| (III) | 41956 | 4-[(5-chloro-2-methylphenyl)sulfanyl]nicotinic acid | C13H10ClNO2S | 详情 | 详情 | |
| (IV) | 41957 | 4-[(5-chloro-2-methylphenyl)sulfanyl]nicotinoyl chloride | C13H9Cl2NOS | 详情 | 详情 | |
| (V) | 41958 | 9-chloro-6-methyl-10H-thiochromeno[3,2-c]pyridin-10-one | C13H8ClNOS | 详情 | 详情 | |
| (VI) | 41186 | N-(2-hydrazinoethyl)-N,N-dimethylamine; 2-hydrazino-N,N-dimethyl-1-ethanamine | C4H13N3 | 详情 | 详情 |
Extended Information