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【结 构 式】 
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【分子编号】50359 【品名】4-(benzyloxy)-6-(4-[(E)-3-[4-(3,5-difluorophenyl)-1-piperazinyl]-1-propenyl]-5-methyl-1H-pyrazol-1-yl)-2-pyrimidinamine; 4-(benzyloxy)-6-(4-[(E)-3-[4-(3,5-difluorophenyl)-1-piperazinyl]-1-propenyl]-5-methyl-1H-pyrazol-1-yl)-2-pyrimidinylamine 【CA登记号】 |
【 分 子 式 】C28H29F2N7O 【 分 子 量 】517.5816464 【元素组成】C 64.98% H 5.65% F 7.34% N 18.94% O 3.09% |
合成路线1
该中间体在本合成路线中的序号：(I)The deprotection of the benzyloxypyrimidine derivative (I) by treatment wit TFA and thioanisole gives the hydroxypyrimidine (II), which is treated with hot POCl3, yielding the corresponding chloro derivative (III). Finally, the target compound is obtained by condensation of (III) with 3-hydroxyazetidine (IV) in refluxing ethanol. The azetidine (IV) is obtained by deprotection of 1-benzhydryl-3-hydroxyazetidine (V) by hydrogenation with H2 over Pd/C in ethanol/water.
| 【1】 Naito, H.; Ohsuki, S.; Ejima, A.; Makino, C.; Ohki, H. (Daiichi Pharmaceutical Co., Ltd.); Pyrazole derivs. and salts thereof. EP 1103551; JP 2000169475; WO 0005230 . |
| 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) | 50359 | 4-(benzyloxy)-6-(4-[(E)-3-[4-(3,5-difluorophenyl)-1-piperazinyl]-1-propenyl]-5-methyl-1H-pyrazol-1-yl)-2-pyrimidinamine; 4-(benzyloxy)-6-(4-[(E)-3-[4-(3,5-difluorophenyl)-1-piperazinyl]-1-propenyl]-5-methyl-1H-pyrazol-1-yl)-2-pyrimidinylamine | C28H29F2N7O | 详情 | 详情 | |
| (II) | 50360 | 2-amino-6-(4-[(E)-3-[4-(3,5-difluorophenyl)-1-piperazinyl]-1-propenyl]-5-methyl-1H-pyrazol-1-yl)-4-pyrimidinol | C21H23F2N7O | 详情 | 详情 | |
| (III) | 50361 | 4-chloro-6-(4-[(E)-3-[4-(3,5-difluorophenyl)-1-piperazinyl]-1-propenyl]-5-methyl-1H-pyrazol-1-yl)-2-pyrimidinamine; 4-chloro-6-(4-[(E)-3-[4-(3,5-difluorophenyl)-1-piperazinyl]-1-propenyl]-5-methyl-1H-pyrazol-1-yl)-2-pyrimidinylamine | C21H22ClF2N7 | 详情 | 详情 | |
| (IV) | 31397 | 3-azetidinol | C3H7NO | 详情 | 详情 | |
| (V) | 12592 | 1-Benzhydryl-3-azetidinol; 1-Benzhydryl-3-hydroxyazetidine；1-benzhydrylazetidin-3-ol | 18621-17-5 | C16H17NO | 详情 | 详情 |