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【结 构 式】 
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【分子编号】39203 【品名】2-[[6-[bis(2-hydroxyethyl)amino]-4,8-di(1-piperidinyl)pyrimido[5,4-d]pyrimidin-2-yl](2-hydroxyethyl)amino]-1-ethanol 【CA登记号】58-32-2 |
【 分 子 式 】C24H40N8O4 【 分 子 量 】504.63312 【元素组成】C 57.12% H 7.99% N 22.21% O 12.68% |
合成路线1
该中间体在本合成路线中的序号：(III)The reaction of 2,4,6,8-tetrachloropyrimido[5,4-d]pyrimidine (I) with piperidine (A) at room temperature gives 2,6-dichloro-4,8-di(N-piperidino)pyrimido[5,4-d]pyrimidine (II), which is treated with diethanolamine (B) at 200 C to yield 2,6-bis(diethanolamino)-4,8-di(N-piperidino)pyrimido[5,4-d])pyrimidine (III) (1). The reduction of (III) with Zn in hot formic or acetic acid or in hot aqueous HCl gives 2,6-bis(diethanolamino)-8-(N-piperidino)-1,2,3,4-tetrahydropyrimido[5,4-d]pyrimidine (IV), which is then dehydrogenated with I2 - KI in water.
| 【1】 Castañer, J.; Serradell, M.N.; Blancafort, P.; Owen, R.T.; Mopidamol. Drugs Fut 1980, 5, 11, 550. |
| 【2】 US 3322755 . |
| 【3】 Fischer, F.G.; et al.; US 3031450 . |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (A) | 10158 | Piperidine | 110-89-4 | C5H11N | 详情 | 详情 |
| (B) | 24273 | 2-[(2-hydroxyethyl)amino]-1-ethanol | 111-42-2 | C4H11NO2 | 详情 | 详情 |
| (I) | 36173 | 2,4,6,8-tetrachloropyrimido[5,4-d]pyrimidine | C6Cl4N4 | 详情 | 详情 | |
| (II) | 39202 | 2,6-dichloro-4,8-di(1-piperidinyl)pyrimido[5,4-d]pyrimidine | C16H20Cl2N6 | 详情 | 详情 | |
| (III) | 39203 | 2-[[6-[bis(2-hydroxyethyl)amino]-4,8-di(1-piperidinyl)pyrimido[5,4-d]pyrimidin-2-yl](2-hydroxyethyl)amino]-1-ethanol | 58-32-2 | C24H40N8O4 | 详情 | 详情 |
| (IV) | 39204 | 2-[[6-[bis(2-hydroxyethyl)amino]-4-(1-piperidinyl)-5,6,7,8-tetrahydropyrimido[5,4-d]pyrimidin-2-yl](2-hydroxyethyl)amino]-1-ethanol | C19H35N7O4 | 详情 | 详情 |