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CAS 448-19-1
4-fluoro-2-methoxy-1-nitrobenzene4-Fluoro-2-methoxy-1-nitrobenzene
Codes: Conteltinib-011, (VIII)909096-1-a, (II)909096-2-a,(II)909096-2-b
Application context (from source-drug indications)
Non-small cell lung cancerConteltinibSolid tumourConteltinibPancreatic cancerConteltinibNon-small cell lung cancerIruplinalkib
Source drugs (routes using this intermediate)
| Drug | Tier | Expiry |
|---|---|---|
| Dextran/Calcium Chloride/Potassium Chloride/Sodium Chloride/Sodium lactate | Tier C — Watch / trade | - |
| Conteltinib | Tier C — Watch / trade | - |
| Iruplinalkib | Tier 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.
Dextran/Calcium Chloride/Potassium Chloride/Sodium Chloride/Sodium lactateOriginator routesteps: 11total yield: 685 g
6-aminopyrimidine-2,4(1H,3H)-dione→2-chloroacetaldehyde→7H-pyrrolo[2,3-d]pyrimidine-2,4-diol→6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diol→2,4-dichloro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine→2,4-dichloro-7-(4-methoxybenzyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine→tert-butyl 4-oxopiperidine-1-carboxylate→1-methylpiperazine→tert-butyl 4-(4-methylpiperazin-1-yl)piperidine-1-carboxylate→1-methyl-4-(piperidin-4-yl)piperazine→4-fluoro-2-methoxy-1-nitrobenzene→1-(1-(3-methoxy-4-nitrophenyl)piperidin-4-yl)-4-methylpiperazine→2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)aniline→2-methoxyethan-1-ol→4-chloro-N-(2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)-7-(4-methoxybenzyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine→2-amino-N-isopropylbenzenesulfonamide→N-isopropyl-2-((2-((2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)amino)-7-(4-methoxybenzyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)benzenesulfonamide
6-aminopyrimidine-2,4(1H,3H)-dione→2-chloroacetaldehyde→7H-pyrrolo[2,3-d]pyrimidine-2,4-diol→6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diol→2,4-dichloro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine→2,4-dichloro-7-(4-methoxybenzyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine→tert-butyl 4-oxopiperidine-1-carboxylate→1-methylpiperazine→tert-butyl 4-(4-methylpiperazin-1-yl)piperidine-1-carboxylate→1-methyl-4-(piperidin-4-yl)piperazine→4-fluoro-2-methoxy-1-nitrobenzene→1-(1-(3-methoxy-4-nitrophenyl)piperidin-4-yl)-4-methylpiperazine→2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)aniline→2-methoxyethan-1-ol→4-chloro-N-(2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)-7-(4-methoxybenzyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine→2-amino-N-isopropylbenzenesulfonamide→N-isopropyl-2-((2-((2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)amino)-7-(4-methoxybenzyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)benzenesulfonamide
1-(Phenylmethyl)-4-piperidinone→3-Ethoxy-3-oxopropanenitrile→2,4-Dioxo-9-(phenylmethyl)-3,9-diazaspiro[5.5]undecane-1,5-dicarbonitrile→1'-Benzylspiro[3,7-diazabicyclo[3.3.1]nonane-9,4'-piperidine]-2,4,6,8-tetrone→9-(Phenylmethyl)-3,9-diazaspiro[5.5]undecane-2,4-dione→3-Benzyl-3,9-diazaspiro[5.5]undecane→3-Boc-3,9-diazaspiro[5.5]undecane→4-Fluoro-2-methoxy-1-nitrobenzene→tert-Butyl 9-(3-methoxy-4-nitrophenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate→tert-Butyl 9-(4-amino-3-methoxyphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate→(2-((2,5-Dichloropyrimidin-4-yl)amino)phenyl)dimethylphosphine oxide→5-Chloro-N2-[4-(3,9-diazaspiro[5.5]undecan-3-yl)-2-methoxyphenyl]-N4-[2-(dimethylphosphoryl)phenyl]pyrimidine-2,4-diamine→Formaldehyde
3-Benzyl-3,9-diazaspiro[5.5]undecane→4-Fluoro-2-methoxy-1-nitrobenzene→3-Benzyl-9-(3-methoxy-4-nitrophenyl)-3,9-diazaspiro[5.5]undecane→Iodomethane→3-Benzyl-9-(3-methoxy-4-nitrophenyl)-3-methyl-3,9-diazaspiro[5.5]undecan-3-ium iodide→2-Methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undec-3-yl)benzenamine→(2-((2,5-Dichloropyrimidin-4-yl)amino)phenyl)dimethylphosphine oxide→tert-Butyl 9-(3-methoxy-4-nitrophenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate→3-(3-Methoxy-4-nitrophenyl)-3,9-diazaspiro[5.5]undecane→Formaldehyde→3-(3-Methoxy-4-nitrophenyl)-9-methyl-3,9-diazaspiro[5.5]undecane
4-Fluoro-2-methoxy-1-nitrobenzene→Formaldehyde→3-(3-Methoxy-4-nitrophenyl)-9-methyl-3,9-diazaspiro[5.5]undecane→3-Boc-3,9-diazaspiro[5.5]undecane→9-Methyl-3,9-Diazaspiro[5.5]undecane-3-carboxylic acid 1,1-dimethylethyl ester→3-Methyl-3,9-diazaspiro[5.5]undecane
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