【结 构 式】 |
【分子编号】62070 【品名】7-benzyl-8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione 【CA登记号】 |
【 分 子 式 】C14H13ClN4O2 【 分 子 量 】304.73568 【元素组成】C 55.18% H 4.3% Cl 11.63% N 18.39% O 10.5% |
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)Alkylation of 8-chloro-1,3-dimethylxanthine (I) with benzyl bromide and K2CO3 affords the 7-benzyl purine (II). This is then condensed with N-Boc-piperazine (III) in EtOH upon heating at 120 C in a sealed vessel to provide the 8-piperazinyl derivative (IV). Finally, deprotection of (IV) employing trifluoroacetic acid leads to the title compound
【1】 Kristiansen, M.; Lundbeck, J.M.; Christiansen, L.B.; Kanstrup, A.B.; Sams, C.K. (Novo Nordisk A/S); Heterocyclic cpds., which are inhibitors of the enzyme DPP-IV. WO 0202560 . |
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) | 62069 | 8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione | 85-18-7 | C7H7ClN4O2 | 详情 | 详情 |
(II) | 62070 | 7-benzyl-8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione | C14H13ClN4O2 | 详情 | 详情 | |
(III) | 13225 | N-tert-Butoxycarbonyl piperazine; tert-butyl 1-piperazinecarboxylate;tert-butyl piperazine-1-carboxylate | 143238-38-4 | C9H18N2O2 | 详情 | 详情 |
(IV) | 62071 | tert-butyl 4-(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-piperazinecarboxylate | C23H30N6O4 | 详情 | 详情 |
Extended Information