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CAS 455-88-9

1-Fluoro-2-methyl-4-nitrobenzene

Codes: (I)1157260-1-a, (XI)1157260-2-b

Application context (from source-drug indications)

Non-small cell lung cancerZongertinibLung cancerZongertinib食道腺癌Zongertinib食管胃结合部肿瘤ZongertinibGastric cancerZongertinibMetastatic breast cancerZongertinib

Source drugs (routes using this intermediate)

DrugTierExpiry
ZongertinibTier C — Watch / trade-

Position in synthesis routes (up/downstream chain)

Ordered by route registration; left → right is the synthesis direction. The highlighted node is the current CAS; others link to their own profiles.

ZongertinibOptimised routesteps: 7total yield: /
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
ZongertinibOptimised routesteps: 5total yield: /
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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