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【结 构 式】 
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【分子编号】50711 【品名】3-(2-methylphenyl)-6,7-dihydro-5H-indeno[5,6-b]thiophene-2-carboxylic acid 【CA登记号】 |
【 分 子 式 】C19H16O2S 【 分 子 量 】308.40084 【元素组成】C 74% H 5.23% O 10.38% S 10.4% |
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)The required benzothiophenecarboxylic acid precursor (IV) was prepared by Friedel-Crafts acylation of 5-(methylthio)indan (I) with 2-methylbenzoyl chloride (II) followed by condensation of the resulting mercapto ketone (III) with hot chloroacetic acid. Curtius rearrangement of carboxylic acid (IV) using diphenylphosphoryl azide produced isocyanate (V), which was subsequently condensed with 2,6-diethylaniline (VI) to yield the title urea.
| 【1】 Nagamine, M.; Yamamoto, K.; Matsui, Y.; Horiuchi, K.; Yoshida, M. (Nihon Nohyaku Co., Ltd.); N-Heteroaryl-N'-phenylurea derivs., their production and use. CA 2116286; EP 0613894; JP 1994340647; US 5464863 . |
| 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) | 50709 | 2,3-dihydro-1H-inden-5-yl methyl sulfide; 5-(methylsulfanyl)indane | C10H12S | 详情 | 详情 | |
| (II) | 14770 | 2-methylbenzoyl chloride; o-Toluoyl chloride | 933-88-0 | C8H7ClO | 详情 | 详情 |
| (III) | 50710 | (2-methylphenyl)[6-(methylsulfanyl)-2,3-dihydro-1H-inden-5-yl]methanone | C18H18OS | 详情 | 详情 | |
| (IV) | 50711 | 3-(2-methylphenyl)-6,7-dihydro-5H-indeno[5,6-b]thiophene-2-carboxylic acid | C19H16O2S | 详情 | 详情 | |
| (V) | 50712 | 3-(2-methylphenyl)-6,7-dihydro-5H-indeno[5,6-b]thiophen-2-yl isocyanate; 2-isocyanato-3-(2-methylphenyl)-6,7-dihydro-5H-indeno[5,6-b]thiophene | C19H15NOS | 详情 | 详情 | |
| (VI) | 35058 | 2,6-diethylphenylamine; 2,6-diethylaniline | 579-66-8 | C10H15N | 详情 | 详情 |
Extended Information