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CAS 74761-42-5
(methoxycarbonyl)-D-valineN-(Methoxycarbonyl)-L-valine
登记编号:ELBA-014、Emitasvir Phosphate-009、RAVI-009
应用背景(按来源药适应症)
丙型肝炎艾尔巴韦慢性丙型肝炎艾尔巴韦肝功能衰退艾尔巴韦肾功能不全艾尔巴韦病毒性肝炎艾尔巴韦丙型肝炎磷酸依米他韦肾功能不全磷酸依米他韦肝功能衰退磷酸依米他韦慢性丙型肝炎磷酸依米他韦丙型肝炎盐酸拉维达韦病毒感染盐酸拉维达韦慢性丙型肝炎盐酸拉维达韦
来源药(使用该中间体的合成路线)
合成路线中的位置(上下游链)
按路线登记顺序排列,左→右为合成方向;高亮为当前 CAS,其余可点击跳转对应档案。
3-bromophenol→3-bromophenyl acetate→1-(4-bromo-2-hydroxyphenyl)ethan-1-one→(4-bromophenyl)hydrazine→(E)-5-bromo-2-(1-(2-(4-bromophenyl)hydrazineylidene)ethyl)phenol→5-bromo-2-(5-bromo-1H-indol-2-yl)phenol→(dibromomethyl)benzene→3,10-dibromo-6-phenyl-6H-benzo[5,6][1,3]oxazino[3,4-a]indole→4,4,4',4',5,5,5',5'-octamethyl-2,2'-bi(1,3,2-dioxaborolane)→6-phenyl-3,10-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6H-benzo[5,6][1,3]oxazino[3,4-a]indole→tert-butyl (S)-2-(5-bromo-1H-imidazol-2-yl)pyrrolidine-1-carboxylate→di-tert-butyl 2,2'-((6-phenyl-6H-benzo[5,6][1,3]oxazino[3,4-a]indole-3,10-diyl)bis(1H-imidazole-4,2-diyl))(2S,2'S)-bis(pyrrolidine-1-carboxylate)→(S)-6-phenyl-3,10-bis(2-((S)-pyrrolidin-2-yl)-1H-imidazol-4-yl)-6H-benzo[5,6][1,3]oxazino[3,4-a]indole→(methoxycarbonyl)-D-valine
3-bromophenol→tert-butyl (S)-2-(5-bromo-1H-imidazol-2-yl)pyrrolidine-1-carboxylate→(S)-6-phenyl-3,10-bis(2-((S)-pyrrolidin-2-yl)-1H-imidazol-4-yl)-6H-benzo[5,6][1,3]oxazino[3,4-a]indole→(methoxycarbonyl)-D-valine→2-(2,5-dibromophenyl)acetic acid→3-bromophenyl 2-(2,5-dibromophenyl)acetate→1-(4-bromo-2-hydroxyphenyl)-2-(2,5-dibromophenyl)ethan-1-one→5-bromo-2-(2-(2,5-dibromophenyl)-1-iminoethyl)phenol→((N-((1S,2S)-1,2-diphenyl-2-((3-phenylpropyl)amino)ethyl)-4-methylphenyl)sulfonamido)ruthenium(II) chloride→(R)-2-(1-amino-2-(2,5-dibromophenyl)ethyl)-5-bromophenol→(R)-5-bromo-2-(5-bromoindolin-2-yl)phenol→(6S,12aR)-3,10-dibromo-6-phenyl-12,12a-dihydro-6H-benzo[5,6][1,3]oxazino[3,4-a]indole→(S)-3,10-dibromo-6-phenyl-6H-benzo[5,6][1,3]oxazino[3,4-a]indole→di-tert-butyl 2,2'-(((S)-6-phenyl-6H-benzo[5,6][1,3]oxazino[3,4-a]indole-3,10-diyl)bis(1H-imidazole-4,2-diyl))(2S,2'S)-bis(pyrrolidine-1-carboxylate)
tert-butyl (S)-2-(5-bromo-1H-imidazol-2-yl)pyrrolidine-1-carboxylate→(methoxycarbonyl)-D-valine→tert-butyl (S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate→tert-butyl (S)-2-(1H-imidazol-2-yl)pyrrolidine-1-carboxylate→tert-butyl (S)-2-(5-bromo-4-chloro-1H-imidazol-2-yl)pyrrolidine-1-carboxylate→tert-butyl (S)-2-(4-chloro-1H-imidazol-2-yl)pyrrolidine-1-carboxylate→(S)-4-chloro-2-(pyrrolidin-2-yl)-1H-imidazole→methyl ((R)-1-((S)-2-(4-chloro-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate→(S)-6-phenyl-3,10-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6H-benzo[5,6][1,3]oxazino[3,4-a]indole
2-Amino-4-bromophenylamine→N-Boc-L-proline→tert-Butyl 2(S)-(5-bromo-2-benzimidazolyl)pyrrolidine-1-carboxylate→tert-Butyl (2S)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate→tert-Butyl (2S)-2-[4-(4-[(1S,4R)-8-[(trifluoromethanesulfonyl)oxy]-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]phenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate→tert-Butyl (2S)-2-(4-[4-[(1S,4R)-8-[2-[(2S)-1-(tert-butoxycarbonyl)pyrrolidin-2-yl]-1H-benzimidazol-5-yl]-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]phenyl]-1H-imidazol-2-yl)pyrrolidine-1-carboxyla te→2-[(2S)-Pyrrolidin-2-yl]-5-[(1R,4S)-8-(4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-4-yl]phenyl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-1H-benzimidazole→2-[(2S)-Pyrrolidin-2-yl]-5-[(1R,4S)-8-(4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-1H-benzimidazole tetrahydrogen chloride→N-(Methoxycarbonyl)-L-valine→Methyl [(2S)-1-[(2S)-2-[5-[(1R,4S)-8-(4-[2-[(2S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-4-yl]phenyl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-1H-benzimi dazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
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