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【结 构 式】 
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【分子编号】34445 【品名】ethyl 4-[6-nitro-4-oxo-3(4H)-quinazolinyl]butanoate 【CA登记号】 |
【 分 子 式 】C14H15N3O5 【 分 子 量 】305.29032 【元素组成】C 55.08% H 4.95% N 13.76% O 26.2% |
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：(V)Condensation of 5-nitroanthranilic acid (I) with formamidine hydrochloride (II) at 210 C generated the quinazolinone (III). Subsequent alkylation of (III) at the 3-N atom with ethyl 4-bromobutyrate (IV) in the presence of K2CO3 in DMF produced the quinazoline-3-butyrate ester (V). Finally, catalytic hydrogenation of the nitro group of (V) using Pd/C yielded the corresponding 6-aminoquinazoline.
| 【1】 Shih, H.; Deng, L.; Genini, D.; Cottam, H.B.; Leoni, L.M.; Chao, Q.; Carson, D.A.; Substituted isoquinolines and quinazolines as potential antiinflammatory agents. Synthesis and biological of inhibitors of tumor necrosis factor alpha. J Med Chem 1999, 42, 19, 3860. |
| 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) | 34443 | 2-amino-5-nitrobenzoic acid | 616-79-5 | C7H6N2O4 | 详情 | 详情 |
| (II) | 15369 | Iminoformamide; Methanimidamide | 463-52-5 | CH4N2 | 详情 | 详情 |
| (III) | 34444 | 6-nitro-4(3H)-quinazolinone | C8H5N3O3 | 详情 | 详情 | |
| (IV) | 11263 | ethyl 4-bromobutanoate; Ethyl 4-bromobutyrate | 2969-81-5 | C6H11BrO2 | 详情 | 详情 |
| (V) | 34445 | ethyl 4-[6-nitro-4-oxo-3(4H)-quinazolinyl]butanoate | C14H15N3O5 | 详情 | 详情 |
Extended Information