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CAS 78-84-2
2-Methylpropanalisobutyraldehyde
Codes: (IIa)140605-16-a, IXAB-013
Application context (from source-drug indications)
Bladder cancerDocetaxel polymeric micelle (Samyang Biopharmaceuticals)Head and neck cancerDocetaxel polymeric micelle (Samyang Biopharmaceuticals)Head and neck squamous cell carcinomaDocetaxel polymeric micelle (Samyang Biopharmaceuticals)Solid tumourDocetaxel polymeric micelle (Samyang Biopharmaceuticals)Breast cancerIxabepiloneMetastatic breast cancerIxabepiloneCervical cancerIxabepiloneProstate cancerIxabepiloneSolid tumourIxabepiloneNeutropeniaIxabepiloneNon-small cell lung cancerDocetaxel （Beihai）Prostate cancerDocetaxel （Beihai）Castration-resistant prostate cancerDocetaxel （Beihai）Breast cancerDocetaxel （Beihai）Head and neck cancerDocetaxel （Beihai）Head and neck squamous cell carcinomaDocetaxel （Beihai）
Source drugs (routes using this intermediate)
| Drug | Tier | Expiry |
|---|---|---|
| Docetaxel polymeric micelle (Samyang Biopharmaceuticals) | Tier C — Watch / trade | - |
| Ixabepilone | Tier C — Watch / trade | - |
| Docetaxel （Beihai） | 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.
Formic acid→2-Methylpropanal→2,2-Dimethylpropanal→(2R,4S,5R)-2-Isopropyl-4-phenyl-1,3-oxazolidine-3,5-dicarboxylic acid 3-tert-butyl 5-methyl ester→(2R,4S,5R)-2-Tert-butyl-4-phenyl-1,3-oxazolidine-3,5-dicarboxylic acid 3-tert-butyl 5-methyl ester→(2R,4S,5R)-3-[(Tert-butoxy)carbonyl]-2-isopropyl-4-phenyl-1,3-oxazolidine-5-carboxylic acid→(2R,4S,5R)-3-[(Tert-butoxy)carbonyl]-2-tert-butyl-4-phenyl-1,3-oxazolidine-5-carboxylic acid→(2alpha,5beta,7beta,10beta,13alpha)-4-(Acetyloxy)-2-(benzoyloxy)-1,13-dihydroxy-9-oxo-5,20-epoxytax-11-ene-7,10-diyl bis(3,5-dinitrobenzoate)→5-[(2alpha,5beta,7beta,10beta,13alpha)-4-(Acetyloxy)-2-(benzoyloxy)-7,10-bis[(3,5-dinitrobenzoyl)oxy]-1-hydroxy-9-oxo-5,20-epoxytax-11-en-13-yl] 3-tert-butyl (2R,4S,5R)-4-phenyl-2-(propan-2-yl)-1,3-oxazolidine-3,5-dicarboxylate→(VIb)140605-16-a→Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-4,6-bis[(3,5-dinitrobenzoyl)oxy]-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)-→3,5-Dinitrobenzoyl chloride→(2alpha,5beta,7beta,10beta,13alpha)-4-(Acetyloxy)-1,7,10,13-tetrahydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate→1-tert-Butyl-3-ethyl 4-oxopiperidine-1,3-dicarboxylate
N-((1R,2R)-1-hydroxy-1-phenylpropan-2-yl)-N-methylpropionamide→5-bromopent-1-ene→(S)-N-((1R,2R)-1-hydroxy-1-phenylpropan-2-yl)-N,2-dimethylhept-6-enamide→(1S,2S)-1-(((1R,2R)-1-hydroxy-1-phenylpropan-2-yl)(methyl)amino)-2-methylhept-6-en-1-ol→(S)-2-methylhept-6-enal→3-((tert-butyldimethylsilyl)oxy)-4,4-dimethyl-5-oxoheptanoic acid→(3S,6R,7S,8S)-3-((tert-butyldimethylsilyl)oxy)-7-hydroxy-4,4,6,8-tetramethyl-5-oxotridec-12-enoic acid→(S,1E,5E)-2-methyl-1-(2-methylthiazol-4-yl)hepta-1,5-dien-3-amine→(3S,6R,7S,8S)-3-((tert-butyldimethylsilyl)oxy)-7-hydroxy-4,4,6,8-tetramethyl-N-((S,1E,5E)-2-methyl-1-(2-methylthiazol-4-yl)hepta-1,5-dien-3-yl)-5-oxotridec-12-enamide→(4S,7R,8S,9S,16S,Z)-4-((tert-butyldimethylsilyl)oxy)-8-hydroxy-5,5,7,9,13-pentamethyl-16-((E)-1-(2-methylthiazol-4-yl)prop-1-en-2-yl)azacyclohexadec-13-ene-2,6-dione→(4S,7R,8S,9S,16S,Z)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-((E)-1-(2-methylthiazol-4-yl)prop-1-en-2-yl)azacyclohexadec-13-ene-2,6-dione→morpholine→isobutyraldehyde→4-(2-methylprop-1-en-1-yl)morpholine→(8R,9S,10R,13S,14S,17R)-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl pentanoate→2,2-dimethyl-3-oxopentanal→allylbis(4,6,6-trimethylbicyclo[3.1.1]hept-2-en-3-yl)borane→tert-butyldimethylsilyl trifluoromethanesulfonate→5-((tert-butyldimethylsilyl)oxy)-4,4-dimethyloct-7-en-3-one→3-((tert-butyldimethylsilyl)oxy)-4,4-dimethyl-5-oxoheptanal→(S,E)-2-aminopent-3-enoic acid→(S,E)-2-((tert-butoxycarbonyl)amino)pent-3-enoic acid→tert-butyl (S,E)-(1-(methoxy(methyl)amino)-1-oxopent-3-en-2-yl)carbamate→tert-butyl (S,E)-(2-oxohept-5-en-3-yl)carbamate→((2-methylthiazol-4-yl)methyl)diphenylphosphine oxide→tert-butyl ((S,1E,5E)-2-methyl-1-(2-methylthiazol-4-yl)hepta-1,5-dien-3-yl)carbamate→methoxybis(4,6,6-trimethylbicyclo[3.1.1]hept-2-en-3-yl)borane
Formic acid→2-Methylpropanal→2,2-Dimethylpropanal→(2R,4S,5R)-2-Isopropyl-4-phenyl-1,3-oxazolidine-3,5-dicarboxylic acid 3-tert-butyl 5-methyl ester→(2R,4S,5R)-2-Tert-butyl-4-phenyl-1,3-oxazolidine-3,5-dicarboxylic acid 3-tert-butyl 5-methyl ester→(2R,4S,5R)-3-[(Tert-butoxy)carbonyl]-2-isopropyl-4-phenyl-1,3-oxazolidine-5-carboxylic acid→(2R,4S,5R)-3-[(Tert-butoxy)carbonyl]-2-tert-butyl-4-phenyl-1,3-oxazolidine-5-carboxylic acid→(2alpha,5beta,7beta,10beta,13alpha)-4-(Acetyloxy)-2-(benzoyloxy)-1,13-dihydroxy-9-oxo-5,20-epoxytax-11-ene-7,10-diyl bis(3,5-dinitrobenzoate)→5-[(2alpha,5beta,7beta,10beta,13alpha)-4-(Acetyloxy)-2-(benzoyloxy)-7,10-bis[(3,5-dinitrobenzoyl)oxy]-1-hydroxy-9-oxo-5,20-epoxytax-11-en-13-yl] 3-tert-butyl (2R,4S,5R)-4-phenyl-2-(propan-2-yl)-1,3-oxazolidine-3,5-dicarboxylate→(VIb)140605-16-a→Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-4,6-bis[(3,5-dinitrobenzoyl)oxy]-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)-→3,5-Dinitrobenzoyl chloride→(2alpha,5beta,7beta,10beta,13alpha)-4-(Acetyloxy)-1,7,10,13-tetrahydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate→1-tert-Butyl-3-ethyl 4-oxopiperidine-1,3-dicarboxylate
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