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【结 构 式】 
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【分子编号】54648 【品名】6-(4-fluorophenyl)-2-methyl-4-pyrimidinol 【CA登记号】 |
【 分 子 式 】C11H9FN2O 【 分 子 量 】204.2037432 【元素组成】C 64.7% H 4.44% F 9.3% N 13.72% O 7.84% |
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：(IV)Claisen condensation of diethyl carbonate with p-fluoroacetophenone (I) produced keto ester (II). This was cyclized to the pyrimidine (IV) by treatment with acetamidine hydrochloride (III) in the presence of K2CO3 in hot EtOH. Chlorination of hydroxypyrimidine (IV) by means of POCl3 furnished the 4-chloropyrimidine (V). Finally, chloride displacement in (V) with the sodium alkoxide of 5-piperidino-1-pentanol (VI) gave rise to the target pyrimidinyl ether, which was isolated as the corresponding hydrochloride salt.
| 【1】 Chokai, S.; Ukai, Y.; Aoki, T.; Ideguchi, K. (Nippon Shinyaku Co., Ltd.); Heterocyclic deriv. and medicine. EP 0781766; JP 2000136184; US 6191149; WO 9607641 . |
| 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) | 37684 | 1-(4-fluorophenyl)-1-ethanone | 403-42-9 | C8H7FO | 详情 | 详情 |
| (II) | 54647 | ethyl 3-(4-fluorophenyl)-3-oxopropanoate | C11H11FO3 | 详情 | 详情 | |
| (III) | 15866 | ethanimidamide | C2H6N2 | 详情 | 详情 | |
| (IV) | 54648 | 6-(4-fluorophenyl)-2-methyl-4-pyrimidinol | C11H9FN2O | 详情 | 详情 | |
| (V) | 54649 | 4-chloro-6-(4-fluorophenyl)-2-methylpyrimidine | C11H8ClFN2 | 详情 | 详情 | |
| (VI) | 54650 | 5-(1-piperidinyl)-1-pentanol | C10H21NO | 详情 | 详情 |
Extended Information