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CAS 455-88-9

1-Fluoro-2-methyl-4-nitrobenzene

登记编号:(I)1157260-1-a、(XI)1157260-2-b

应用背景(按来源药适应症)

非小细胞肺癌宗艾替尼肺癌宗艾替尼食道腺癌宗艾替尼食管胃结合部肿瘤宗艾替尼胃癌宗艾替尼转移性乳腺癌宗艾替尼

来源药(使用该中间体的合成路线)

品种梯队到期年
宗艾替尼ZongertinibTier C · 观察 / 贸易-

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。

宗艾替尼优化路线步数:7总收率:/
1-Fluoro-2-methyl-4-nitrobenzene→1-Methyl-1H-1,3-benzimidazol-5-ol→1-Methyl-5-(2-methyl-4-nitrophenoxy)-1H-1,3-benzimidazole→3-Methyl-4-((1-methyl-1H-benzimidazol-5-yl)oxy)benzenamine→4-Chloro-6-(methylthio)pyrimido[5,4-d]pyrimidine→8-Chloro-2-(methylsulfanyl)pyrimido[5,4-d]pyrimidine hydrogen chloride→N-[3-Methyl-4-[(1-methyl-1H-1,3-benzimidazol-5-yl)oxy]phenyl]-6-(methylsulfanyl)pyrimido[5,4-d]pyrimidin-4-amine→6-(Methanesulfinyl)-N-[3-methyl-4-[(1-methyl-1H-1,3-benzimidazol-5-yl)oxy]phenyl]pyrimido[5,4-d]pyrimidin-4-amine→1,1-Dimethylethyl piperidin-4-ylcarbamate→tert-Butyl [1-(8-[3-methyl-4-[(1-methyl-1H-1,3-benzimidazol-5-yl)oxy]anilino]pyrimido[5,4-d]pyrimidin-2-yl)piperidin-4-yl]carbamate→6-(4-Aminopiperidin-1-yl)-N-[3-methyl-4-[(1-methyl-1H-1,3-benzimidazol-5-yl)oxy]phenyl]pyrimido[5,4-d]pyrimidin-4-amine→2-Propenoyl chloride
宗艾替尼优化路线步数:5总收率:/
3-Methyl-4-((1-methyl-1H-benzimidazol-5-yl)oxy)benzenamine→1-Fluoro-2-methyl-4-nitrobenzene→4-Amino-3-nitrophenol→4-(2-Methyl-4-nitrophenoxy)-2-nitroaniline→Dimethoxysulfone→N-Methyl-4-(2-methyl-4-nitrophenoxy)-2-nitroaniline→4-(4-Amino-2-methylphenoxy)-N1-methylbenzene-1,2-diamine→Formic acid→N-[3-Methyl-4-[(1-methyl-1H-1,3-benzimidazol-5-yl)oxy]phenyl]formamide

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