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【结 构 式】 
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【分子编号】23158 【品名】ethyl 3-[[benzyl(methyl)amino]methyl]-7-(2,6-difluorobenzyl)-2-[4-(isobutyrylamino)phenyl]-4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate 【CA登记号】 |
【 分 子 式 】C36H35F2N3O4S 【 分 子 量 】643.7545264 【元素组成】C 67.17% H 5.48% F 5.9% N 6.53% O 9.94% S 4.98% |
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：(XVI)Compound (XI) was condensed with methyl benzyl amine (XII) to furnish tertiary amine (XIII). The nitro group of (XIII) was then reduced with iron powder and HCl to afford amine (XIV). Subsequent acylation of (XIV) with isobutyric anhydride (XV) in the presence of Et3N produced amide (XVI). The title compound was then obtained by transesterification between (XVI) and titanium isopropoxide in isopropanol, followed by treatment with ethanolic HCl.
| 【1】 Cho, N.; Harada, M.; Imaeda, T.; Imada, T.; Matsumoto, H.; Hayase, Y.; Sasaki, S,; Furuya, S.; Suzuki, N.; Okubo, S.; Ogi, K.; Endo, S.; Onda, H.; Fujino, M.; Discovery of a novel, potent, and orally active no. J Med Chem 1998, 41, 22, 4190. |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (XII) | 11969 | N-Methyl(phenyl)methanamine; N-Benzyl-N-methylamine; N-Methylbenzylamine | 103-67-3 | C8H11N | 详情 | 详情 |
| (XIII) | 23155 | ethyl 3-[[benzyl(methyl)amino]methyl]-7-(2,6-difluorobenzyl)-2-(4-nitrophenyl)-4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate | C32H27F2N3O5S | 详情 | 详情 | |
| (XIV) | 23156 | ethyl 2-(4-aminophenyl)-3-[[benzyl(methyl)amino]methyl]-7-(2,6-difluorobenzyl)-4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate | C32H29F2N3O3S | 详情 | 详情 | |
| (XV) | 22334 | 1-methylpropionic anhydride | 97-72-3 | C8H14O3 | 详情 | 详情 |
| (XVI) | 23158 | ethyl 3-[[benzyl(methyl)amino]methyl]-7-(2,6-difluorobenzyl)-2-[4-(isobutyrylamino)phenyl]-4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate | C36H35F2N3O4S | 详情 | 详情 |
Extended Information