【结 构 式】 |
【分子编号】60542 【品名】ethyl 4-nitrobenzoate 【CA登记号】99-77-4 |
【 分 子 式 】C9H9NO4 【 分 子 量 】195.1748 【元素组成】C 55.39% H 4.65% N 7.18% O 32.79% |
与该中间体有关的原料药合成路线共 2 条
合成路线1
该中间体在本合成路线中的序号:(I)The reaction of 4-nitrobenzoic acid ethyl ester (I) with 18FK in DMSO at 150 C gives 4-18Fluorobenzoic acid ethyl ester (II), which is hydrolyzed with NaOH to yield the corresponding free acid (III) Finally, this compound is condensed with 4-acetylpiperazine-1-amine (IV) by means of WSC and HOBT in DMF to afford the target labeled compound. Alternatively, 4-18Fluorobenzoic acid ethyl ester (II) can also be obtained by reaction ethyl 4-aminobenzoate triflate salt (V) with 18FK in DMSO at 120 C.
【1】 Murakami, Y.; et al.; Synthesis of 18F labelled FK960, a candidate anti-dementia drug, and PET studies in conscious monkeys. J Label Compd Radiopharm 2002, 45, 14, 1219. |
合成路线2
该中间体在本合成路线中的序号:(I)
【1】 Qi YM, Jie Q, Zhang FM.2009. Preparation of 2-(3-cyanophenyl) thiazole derivatives as xanthine oxidase inhibitors for treatment of hyperuricemia, hyperuricemia-induced gout, arthritis, or heart failure. Farming Zhuanli Shenqing Gongkai Shuomingshu, CN 101386604. |
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) | 60542 | ethyl 4-nitrobenzoate | 99-77-4 | C9H9NO4 | 详情 | 详情 |
(II) | 67135 | ethyl 3-cyano-4-isobutoxybenzoate | C14H17NO3 | 详情 | 详情 | |
(III) | 67136 | 3-cyano-4-isobutoxybenzamide | C12H14N2O2 | 详情 | 详情 | |
(IV) | 43800 | 3-cyano-4-isobutoxybenzenecarbothioamide | C12H14N2OS | 详情 | 详情 | |
(V) | 11819 | ethyl acetoacetate; ethyl 3-oxobutanoate;Acetoacetic ester;Ethyl beta-ketobutyrate;ethyl 3-oxobutyrate | 141-97-9 | C6H10O3 | 详情 | 详情 |
(VI) | 43797 | ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate | C18H20N2O3S | 详情 | 详情 |
Extended Information