CAS: 1206102-10-4; (4R,12As)-7-(Benzyloxy)-9-Bromo-4-Methyl-3,4,12,12A-Tetrahydro-2H-Pyrido[1',2':4,5]Pyrazino[2,1-B][1,3]Oxazine-6,8-Dione

英文名称(4R,12As)-7-(Benzyloxy)-9-Bromo-4-Methyl-3,4,12,12A-Tetrahydro-2H-Pyrido[1',2':4,5]Pyrazino[2,1-B][1,3]Oxazine-6,8-Dione
中文名称德罗特韦中间体
IUPAC名称(4R,12aS)-7-(benzyloxy)-9-bromo-4-methyl-3,4,12,12a-tetrahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-6,8-dione
其它别名(4R,12As)-7-(Benzyloxy)-9-Bromo-4-Methyl-3,4-Dihydro-2H-[1,3]Oxazino[3,2-D]Pyrido[1,2-A]Pyrazine-6,8(12H,12Ah)-Dione; 2H-Pyrido[1',2':4,5]Pyrazino[2,1-B][1,3]Oxazine-6,8-Dione, 9-Bromo-3,4,12,12A-Tetrahydro-4-Methyl-7-(Phenylmethoxy)-, (4R,12As)-; (4R,12As)-9-Bromo-3,4,12,12A-Tetrahydro-4-Methyl-7-(Phenylmethoxy)-2H-Pyrido[1',2':4,5]Pyrazino[2,1-B][1,3]Oxazine-6,8-Dione; (4R,12As)-7-(Benzyloxy)-9-Bromo-4-Methyl-3,4,12,12A-Tetrahydro-2H-Pyrido[1,2:4,5]Pyrazino[2,1-B][1,3]Oxazine-6,8-Dione
CAS编号1206102-10-4
MFCD编号:MFCD22741603
分子式:C19H19BrN2O4
分子量:419.27
产品CID: 274960
产品分类医药中间体 → 原料药中间体

相似结构搜索
InChIKey: XKXSSMSOAWHOLM-DOMZBBRYSA-N
InChI=1S/C19H19BrN2O4/c1-12-7-8-25-15-10-21-9-14(20)17(23)18(16(21)19(24)22(12)15)26-11-13-5-3-2-4-6-13/h2-6,9,12,15H,7-8,10-11H2,1H3/t12-,1…
计算化学: 氢键受体数5.0氢键供体数0.0可旋转键数3.0

MSDS等安全信息

GHS符号GHS07
警示词Warning
危险描述H315-H319
防范说明P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

上下游产品

(4R,12aS)-7-(benzyloxy)-4-methyl-3,4,12,12a-tetrahydro-2H-pyrido[1′,2':4,5] pyrazino[2,1-b][1,3]oxazine-6,8-dione 2-(2-hydroxy-2-phenylethyl)-3-[(phenylmethyl)oxy]-4H-pyran-4-one 3-(benzyloxy)-1-((tert-butoxycarbonyl)amino)-4-oxo-1,4-dihydropyridine-2-carboxylic acid ethyl ester (4R,12aS)-7-(benzyloxy)-N-(2,4-difluorobenzyl)-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1′,2':4,5]-pyrazino[2,1-b][1,3]oxazine-9-carboxamide dolutegravir (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1′,2′:4,5]pyrazino-[2,1-b][1,3]oxazine-9-carboxamide sodium salt

合成工艺路线路线简述

麦芽醇置于ruthenium Trichloride,Sodium Hypochlorite,Sodium Periodate,N-溴代丁二酰亚胺(Nbs),2,2,6,6-四甲基哌啶氧化物,硫酸,乙酸酐,碳酸氢钠,Potassium Carbonate,溶剂黄146,甲基磺酰氯,三乙胺,Lithium Hexamethyldisilazane体系中,用四氢呋喃,N-甲基吡咯烷酮,乙醇,二氯甲烷,水,乙酸乙酯,甲苯,乙腈用作溶剂,化学反应 15.5H,反应生成(4R,12As)-9-溴-3,4,12,12A-四氢-4-甲基-7-(苯基甲氧基)-2H-吡啶并[1',2':4,5]吡嗪并[2,1-B][1,3]恶嗪-6,8-二酮
参考文献:实用且可扩展的合成方法制备多洛格韦钠:大规模合成路线的改进
标题:实用且可扩展的合成方法制备多洛格韦钠:大规模合成路线的改进
摘要:从容易获得的原料麦芽酚(2)开始,建立了一种实用且可扩展的合成方法以获得dolutegravir钠(1).该合成方法包括麦芽酚和钯催化的酰胺化的可扩展氧化过程,用于引入酰胺部分,从而导致在短合成步骤中的实际制造方法.本文所述的合成方法使得能够进行多千克规模的高纯度1的制造.
Doi:10.1021/acs.Oprd.8B00409