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【结 构 式】

【分子编号】41124

【品名】disodium 2,6-dioxo-1,2,6,7-tetrahydropyrimido[5,4-d]pyrimidine-4,8-diolate

【CA登记号】

【 分 子 式 】C6H2N4Na2O4

【 分 子 量 】240.085976

【元素组成】C 30.02% H 0.84% N 23.34% Na 19.15% O 26.66%

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:(II)

Pyrimidopyrimidine tetraone (I) was converted to the disodium salt (II), which was then treated with PCl5 in refluxing POCl3 to provide the tetrachloro pyrimidopyrimidine (III). Displacement of the more reactive 4- and 8-chlorine atoms of (III) by 4-methoxybenzylamine (IV) in THF at room temperature gave the 4,8-di(4-methoxybenzylamino) derivative (V). Finally, the remainig chlorine atoms of (V) were displaced by diethanolamine (VI) at 110 C, yielding the title compound.

1 Barlow, H.C.; et al.; Resistance-modifying agents. Part 7: 2,6-Disubstituted-4,8-dibenzylaminopyrimido[5,4-d]pyrimidines that inhibit nucleoside transport in the presence of alpha1-acid glycoprotein (AGP). Bioorg Med Chem Lett 2000, 10, 6, 585.
2 Calvert, A.H.; Griffin, R.J.; Curtin, N.J.; Golding, B.T.; Newell, D.R. (University of Newcastle upon Tyne); Pyrimidopyrimidine cpds.. WO 9843974 .
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) 41123 1,5-dihydropyrimido[5,4-d]pyrimidine-2,4,6,8(3H,7H)-tetrone 6713-54-8 C6H4N4O4 详情 详情
(II) 41124 disodium 2,6-dioxo-1,2,6,7-tetrahydropyrimido[5,4-d]pyrimidine-4,8-diolate C6H2N4Na2O4 详情 详情
(III) 36173 2,4,6,8-tetrachloropyrimido[5,4-d]pyrimidine C6Cl4N4 详情 详情
(IV) 15098 4-Methoxybenzylamine; (4-Methoxyphenyl)methanamine 2393-23-9 C8H11NO 详情 详情
(V) 41125 2,6-dichloro-N(4),N(8)-bis(4-methoxybenzyl)pyrimido[5,4-d]pyrimidine-4,8-diamine; N-[2,6-dichloro-8-[(4-methoxybenzyl)amino]pyrimido[5,4-d]pyrimidin-4-yl]-N-(4-methoxybenzyl)amine C22H20Cl2N6O2 详情 详情
(VI) 24273 2-[(2-hydroxyethyl)amino]-1-ethanol 111-42-2 C4H11NO2 详情 详情
Extended Information