CAS: 1425038-23-8; Methyl (1Ar,5S,8S,10R,22Ar)-5-Tert-Butyl-14-Methoxy-3,6-Dioxo-18,19-Didehydro-1,1A,3,4,5,6,9,10,20,21,22,22A-Dodecahydro-8H-7,10-Methanocyclopropa[18,19][1,10,3, 6]Dioxadiazacyclononadecino[11,12-B]Quinoxaline-8-Carboxylate

英文名称Methyl (1Ar,5S,8S,10R,22Ar)-5-Tert-Butyl-14-Methoxy-3,6-Dioxo-18,19-Didehydro-1,1A,3,4,5,6,9,10,20,21,22,22A-Dodecahydro-8H-7,10-Methanocyclopropa[18,19][1,10,3, 6]Dioxadiazacyclononadecino[11,12-B]Quinoxaline-8-Carboxylate
中文名称(1aR,5S,8S,10R,22aR)-18,19-二去氢-5-(叔丁基)-1,1a,3,4,5,6,9,10,20,21,22,22a-十二氢-14-甲氧基-3,6-二氧代-8H-7,10-甲桥环丙烯并[18,19][1,10,3,6]二氧杂二氮杂环十九碳九烯并[11,12-b]喹喔啉-8-羧酸甲酯
CAS编号1425038-23-8
分子式:C30H36N4O7分子量:564.63
产品CID: 650628
产品分类医药中间体 → 原料药中间体

相似结构搜索
InChIKey: MSLVUDXPWYYXGK-AGLWYXLZSA-N
1S/C30H36N4O7/c1-30(2,3)25-27(35)34-16-19(15-23(34)28(36)39-5)40-26-21(31-20-12-11-18(38-4)14-22(20)32-26)10-8-6-7-9-17-13-24(17)41-29(37)33-25/h11-12,14,17,19,23-25H,6-7
计算化学: 氢键受体数9.0氢键供体数1.0可旋转键数4.0

MSDS等安全信息

上下游产品

4-methoxyphenylene-1,2-diamine dihydr°Chloride 2,3-dihydroxy-6-methoxyquinoxaline 2,3-dichloro-6-methoxyquinoxaline (2S,4R)-4-[(3-chloro-7-methoxyquinoxalin-2-yl)oxy]-2-(methoxycarbonyl)pyrrolidin-1-ium methanesulfonate(1aR,5S,8S,10R,22aR)-5-tert-butyl-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradeca-hydro-8H-7,10-methan°Cyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxylic acid hydrate grazoprevir methyl (1aR,5S,8S,10R,22aR)-5-tert-butyl-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methan°Cyclopropa[18,19][1,10,3,6]dioxa-diazacyclononadecino[11,12-b]quinoxaline-8-carboxylate

合成工艺路线路线简述

合成目标产物 Methyl (33R,35S,91R,92R,5S,Z)-5-(Tert-Butyl)-17-Methoxy-4,7-Dioxo-2,8-Dioxa-6-Aza-1(2,3)-Quinoxalina-3(3,1)-Pyrrolidina-9(1,2)-Cyclopropanacyclotetradecaphan-12-Yne-35-Carboxylate 主要起始原料 L-Proline, 4-[[3-[5-[(1R,2R)-2-[[[[(1S)-1-Carboxy-2,2-Dimethylpropyl]Amino]Carbonyl]Oxy]Cyclopropyl]-1-Pentyn-1-Yl]-7-Methoxy-2-Quinoxalinyl]Oxy]-, 2-Methyl Ester, (4R)-
(文献来源)合成步骤主要原料 L-Proline, 4-[[3-[5-[(1R,2R)-2-[[[[(1S)-1-Carboxy-2,2-Dimethylpropyl]Amino]Carbonyl]Oxy]Cyclopropyl]-1-Pentyn-1-Yl]-7-Methoxy-2-Quinoxalinyl]Oxy]-, 2-Methyl Ester, (4R)-

📜N-Boc-反式-4-羟基-L-脯氨酸甲酯置于bis-Triphenylphosphine-Palladium(II) Chloride,Copper(L) Iodide,1,8-二氮杂双环[5.4.0]十一碳-7-烯,N,N-二异丙基乙胺,N-[(Dimethylamino)-3-Oxo-1H-1,2,3-Triazolo[4,5-B]Pyridin-1-Yl-Methylene]-N-Methylmethanaminium Hexafluorophosphate体系中,用四氢呋喃,甲醇,N,N-二甲基乙酰胺,乙腈用作溶剂,化学反应 63.0H,反应生成(1Ar,5S,8S,10R,22Ar)-18,19-二去氢-5-(叔丁基)-1,1A,3,4,5,6,9,10,20,21,22,22A-十二氢-14-甲氧基-3,6-二氧代-8H-7,10-甲桥环丙烯并[18,19][1,10,3,6]二氧杂二氮杂环十九碳九烯并[11,12-B]喹喔啉-8-羧酸甲酯
参考文献:用于治疗丙型肝炎病毒的强效ns3 / 4A蛋白酶抑制剂grazoprevir的合成
标题:用于治疗丙型肝炎病毒的强效ns3 / 4A蛋白酶抑制剂grazoprevir的合成
摘要:据报道,Grazoprevir的有效合成.从四个容易获得的结构单元开始,制备格拉佐泼韦的总收率为51%,纯度大于99.9%,可用于制药用途.
Doi:10.1021/acs.Orglett.8B03173