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【结 构 式】 
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【分子编号】18323 【品名】ethyl 2-[5-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-6-[4-(methoxymethoxy)phenyl]-1-[2-(methylsulfanyl)benzyl]-2,4-dioxo-1,4-dihydrothieno[2,3-d]pyrimidin-3(2H)-yl]acetate 【CA登记号】 |
【 分 子 式 】C35H31N3O8S2 【 分 子 量 】685.77856 【元素组成】C 61.3% H 4.56% N 6.13% O 18.66% S 9.35% |
合成路线1
该中间体在本合成路线中的序号：(XV)After bromination of the methyl group of (XII) with N-bromosuccinimide in the presence of 2,2'-azobis(isobutyro-nitrile) to give (XIII), the aminomethyl derivative (XVI) was obtained by condensation with potassium phthalimide (XIV) in DMF and subsequent hydrazinolysis of the resulting (XV). Treatment with methanesulfonyl chloride and triethylamine then provided sulfonamide (XVII), and the ester function was finally hydrolyzed to the target carboxylic acid with NaOH in a mixture of H2O/MeOH/THF.
| 【1】 Cho, N.; Nara, Y.; Harada, M.; Sugo, T.; Masuda, Y.; Abe, A.; Kusumoto, K.; Itoh, Y.; Ohtaki, T.; Watanabe, T.; Furuya, S.; Thieno[2,3-d]pyrimidine-3-acetic acids a new class of nonpeptide endothelin receptor antagonists. Chem Pharm Bull 1998, 46, 11, 1724. |
| 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) | 18320 | ethyl 2-[6-[4-(methoxymethoxy)phenyl]-5-methyl-1-[2-(methylsulfanyl)benzyl]-2,4-dioxo-1,4-dihydrothieno[2,3-d]pyrimidin-3(2H)-yl]acetate | C27H28N2O6S2 | 详情 | 详情 | |
| (XIII) | 18321 | ethyl 2-[5-(bromomethyl)-6-[4-(methoxymethoxy)phenyl]-1-[2-(methylsulfanyl)benzyl]-2,4-dioxo-1,4-dihydrothieno[2,3-d]pyrimidin-3(2H)-yl]acetate | C27H27BrN2O6S2 | 详情 | 详情 | |
| (XIV) | 10926 | (1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)potassium | C8H4KNO2 | 详情 | 详情 | |
| (XV) | 18323 | ethyl 2-[5-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-6-[4-(methoxymethoxy)phenyl]-1-[2-(methylsulfanyl)benzyl]-2,4-dioxo-1,4-dihydrothieno[2,3-d]pyrimidin-3(2H)-yl]acetate | C35H31N3O8S2 | 详情 | 详情 | |
| (XVI) | 18324 | ethyl 2-[5-(aminomethyl)-6-[4-(methoxymethoxy)phenyl]-1-[2-(methylsulfanyl)benzyl]-2,4-dioxo-1,4-dihydrothieno[2,3-d]pyrimidin-3(2H)-yl]acetate | C27H29N3O6S2 | 详情 | 详情 | |
| (XVII) | 18325 | ethyl 2-[6-[4-(methoxymethoxy)phenyl]-1-[2-(methylsulfanyl)benzyl]-5-[[(methylsulfonyl)amino]methyl]-2,4-dioxo-1,4-dihydrothieno[2,3-d]pyrimidin-3(2H)-yl]acetate | C28H31N3O8S3 | 详情 | 详情 |