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CAS 61079-72-9
2,3,4-trifluorobenzoic acid
Codes: COBI-012, SELT-001, BINI-001
Application context (from source-drug indications)
MelanomaCobimetinib FumaratePlexiform neurofibromaSelumetinib sulfateNeurofibromatosis type ISelumetinib sulfateNon-small cell lung cancerBinimetinibMelanomaBinimetinibColorectal cancerBinimetinibHairy cell leukaemiaBinimetinibPlexiform neurofibromaBinimetinibNeurofibromatosis type IBinimetinib
Source drugs (routes using this intermediate)
| Drug | Tier | Expiry |
|---|---|---|
| Cobimetinib Fumarate | Tier C — Watch / trade | 2029 |
| Selumetinib sulfate | Tier C — Watch / trade | 2032 |
| Binimetinib | 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.
azetidin-3-ol hydrochloride→benzyl 3-hydroxyazetidine-1-carboxylate→benzyl 3-oxoazetidine-1-carboxylate→tert-butyl piperidine-1-carboxylate→tert-butyl 2-(1-((benzyloxy)carbonyl)-3-hydroxyazetidin-3-yl)piperidine-1-carboxylate→(R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride→(S)-tert-butyl 2-(1-((benzyloxy)carbonyl)-3-(((R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)oxy)azetidin-3-yl)piperidine-1-carboxylate→(S)-tert-butyl 2-(1-((benzyloxy)carbonyl)-3-hydroxyazetidin-3-yl)piperidine-1-carboxylate→(S)-tert-butyl 2-(3-hydroxyazetidin-3-yl)piperidine-1-carboxylate→3,4-difluoro-2-((2-fluoro-4-iodophenyl)amino)benzoyl fluoride→(S)-tert-butyl 2-(1-(3,4-difluoro-2-((2-fluoro-4-iodophenyl)amino)benzoyl)-3-hydroxyazetidin-3-yl)piperidine-1-carboxylate→2,3,4-trifluorobenzoic acid→2-fluoro-4-iodoaniline→3,4-difluoro-2-((2-fluoro-4-iodophenyl)amino)benzoic acid→2,4,6-trifluoro-1,3,5-triazine
2,3,4-trifluorobenzoic acid→2-fluoro-4-iodoaniline→(3S,5R,8aS)-3-phenylhexahydro-2H-oxazolo[3,2-a]pyridine-5-carbonitrile→tert-butyl 3-oxoazetidine-1-carboxylate→tert-butyl 3-((3S,5R,8aS)-5-cyano-3-phenylhexahydro-2H-oxazolo[3,2-a]pyridin-5-yl)-3-hydroxyazetidine-1-carboxylate→tert-butyl 3-hydroxy-3-((S)-1-((S)-2-hydroxy-1-phenylethyl)piperidin-2-yl)azetidine-1-carboxylate→3-((S)-1-((S)-2-hydroxy-1-phenylethyl)piperidin-2-yl)azetidin-3-ol→(3-hydroxy-3-((S)-1-((S)-2-hydroxy-1-phenylethyl)piperidin-2-yl)azetidin-1-yl)(2,3,4-trifluorophenyl)methanone→(S)-(3-hydroxy-3-(piperidin-2-yl)azetidin-1-yl)(2,3,4-trifluorophenyl)methanone hydrochloride
2,3,4-trifluorobenzoic acid→2,3,4-trifluoro-5-nitrobenzoic acid→4-amino-2,3-difluoro-5-nitrobenzoic acid→methyl 4-amino-2,3-difluoro-5-nitrobenzoate→aniline→SELT-006→SELT-007→SELT-008→SELT-009→SELT-010→SELT-011→methyl 2-((2-fluoro-4-iodophenyl)amino)-1,5-dimethyl-6-oxo-1,6-dihydropyridine-3-carboxylate→SELT-013
2,3,4-trifluorobenzoic acid→2,3,4-trifluoro-5-nitrobenzoic acid→4-amino-2,3-difluoro-5-nitrobenzoic acid→methyl 4-amino-2,3-difluoro-5-nitrobenzoate→2-fluoroaniline→methyl 4-amino-3-fluoro-2-((2-fluorophenyl)amino)-5-nitrobenzoate→methyl 4-fluoro-5-((2-fluorophenyl)amino)-1H-benzo[d]imidazole-6-carboxylate→methyl 5-((4-bromo-2-fluorophenyl)amino)-4-fluoro-1H-benzo[d]imidazole-6-carboxylate→methyl 5-((4-bromo-2-fluorophenyl)amino)-4-fluoro-1-methyl-1H-benzo[d]imidazole-6-carboxylate→5-((4-bromo-2-fluorophenyl)amino)-4-fluoro-1-methyl-1H-benzo[d]imidazole-6-carboxylic acid→methyl 2-((2-fluoro-4-iodophenyl)amino)-1,5-dimethyl-6-oxo-1,6-dihydropyridine-3-carboxylate→5-((4-bromo-2-fluorophenyl)amino)-4-fluoro-1-methyl-N-(2-(vinyloxy)ethoxy)-1H-benzo[d]imidazole-6-carboxamide
2,3,4-trifluorobenzoic acid→2,3,4-trifluoro-5-nitrobenzoic acid→4-amino-2,3-difluoro-5-nitrobenzoic acid→methyl 4-amino-2,3-difluoro-5-nitrobenzoate→methyl 5-((4-bromo-2-fluorophenyl)amino)-4-fluoro-1-methyl-1H-benzo[d]imidazole-6-carboxylate→methyl 2,4-diamino-3-fluoro-5-nitrobenzoate→methyl 2,4,5-triamino-3-fluorobenzoate→diethoxymethane→methyl 5-amino-4-fluoro-1-methyl-1H-benzo[d]imidazole-6-carboxylate→4-bromo-2-fluoro-1-iodobenzene→potassium 5-((4-bromo-2-fluorophenyl)amino)-4-fluoro-1-methyl-1H-benzo[d]imidazole-6-carboxylate→(5-((4-bromo-2-fluorophenyl)amino)-4-fluoro-1-methyl-1H-benzo[d]imidazol-6-yl)(1H-imidazol-1-yl)methanone→O-(2-(tert-butoxy)ethyl)hydroxylamine→5-((4-bromo-2-fluorophenyl)amino)-N-(2-(tert-butoxy)ethoxy)-4-fluoro-1-methyl-1H-benzo[d]imidazole-6-carboxamide hydrate
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