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【结 构 式】 
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【分子编号】35859 【品名】methyl 4-[4-(7-ethyl-4-methyl-1-benzofuran-2-yl)-4-oxobutanoyl]benzoate 【CA登记号】 |
【 分 子 式 】C23H22O5 【 分 子 量 】378.42468 【元素组成】C 73% H 5.86% O 21.14% |
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 condensation of 7-ethyl-4-methylbenzofuran-2-carbaldehyde (I) with 4-acryloylbenzoic acid methyl ester (II) by means of 3-benzyl-5-(hydroxymethyl)-4-methylthiazolium chloride (BHMT) in hot DMF gives the 1,4-butanedione (III), which is cyclized with ammonium acetate in refluxing methanol to yield the substituted pyrrole (IV). Finally, the ester group of (IV) is hydrolyzed with NaOH in refluxing ethanol/water.
| 【1】 Tagami, K.; Yoshimura, H.; Nagai, M.; Hibi, S.; Kikuchi, K.; Sato, T.; Okita, M.; Okamoto, Y.; Nagasaka, Y.; Kobayashi, N.; Hida, T.; Tai, K.; Tokuhara, N.; Kobayashi, S. (Eisai Co., Ltd.); Fused-ring carboxylic acid derivs.. EP 0889032; US 6110959; US 6121309; WO 9734869 . |
| 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) | 35858 | 7-ethyl-4-methyl-1-benzofuran-2-carbaldehyde | C12H12O2 | 详情 | 详情 | |
| (II) | 35857 | methyl 4-acryloylbenzoate | C11H10O3 | 详情 | 详情 | |
| (III) | 35859 | methyl 4-[4-(7-ethyl-4-methyl-1-benzofuran-2-yl)-4-oxobutanoyl]benzoate | C23H22O5 | 详情 | 详情 | |
| (IV) | 35860 | methyl 4-[5-(7-ethyl-4-methyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoate | C23H21NO3 | 详情 | 详情 |
Extended Information