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CAS 107-02-8
2-Propen-1-oneacrylaldehyde2-PropenalAcrylaldehyde
Codes: (X)101438-68-a, GRAZ-019, Folic Acid-041, (XVII)965082-1-c
Application context (from source-drug indications)
Breast cancerPaclitaxel/Encequidar mesylateAdenocarcinomaPaclitaxel/Encequidar mesylateAngiosarcomaPaclitaxel/Encequidar mesylateSolid tumourPaclitaxel/Encequidar mesylateHepatitis CGrazoprevir HydrateHIV infectionGrazoprevir HydrateChronic hepatitis CGrazoprevir HydrateRenal impairmentGrazoprevir HydrateEssential hypertensionEnalapril Maleate/Folic AcidPancreatic cancerPaclitaxelNon-small cell lung cancerPaclitaxelHodgkin's diseasePaclitaxelSeminomaPaclitaxelOvarian cancerPaclitaxelBreast cancerPaclitaxelMegaloblastic anaemiaFolic AcidFolate deficiencyFolic AcidNeural tube defectFolic AcidAnaemiaFolic AcidHot flushesFolic AcidHyperhomocysteinaemiaFolic AcidMarginal zone B-cell lymphomaOrelabrutinibMantle cell lymphomaOrelabrutinibChronic lymphocytic leukaemiaOrelabrutinibImmune thrombocytopenic purpuraOrelabrutinibSystemic lupus erythematosusOrelabrutinibMultiple sclerosisOrelabrutinib
Source drugs (routes using this intermediate)
| Drug | Tier | Expiry |
|---|---|---|
| Paclitaxel/Encequidar mesylate | Tier C — Watch / trade | - |
| Grazoprevir Hydrate | Tier C — Watch / trade | - |
| Enalapril Maleate/Folic Acid | Tier C — Watch / trade | - |
| Paclitaxel | Tier B — Position early | - |
| Folic Acid | Tier C — Watch / trade | - |
| Orelabrutinib | 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.
(3S,4aR,6R,11S,12aS)-3-Bromo-9,12a,13,13-tetramethyl-11-[(triethylsilyl)oxy]-2,3,4a,6,7,11,12,12a-octahydro-6,10-methanobenzo[10]annulene-4,5,8(1H)-trione→(3S,4aR,6R,12aR)-3-Bromo-9,12a,13,13-tetramethyl-2,3,4a,6,7,11,12,12a-octahydro-6,10-methanobenzo[10]annulene-4,5,8(1H)-trione→(4aS,6R,11S,12aS)-9,12a,13,13-Tetramethyl-11-[(triethylsilyl)oxy]-4a,6,7,11,12,12a-hexahydro-6,10-methanobenzo[10]annulene-4,5,8(1H)-trione→(4aS,6R,12aS)-9,12a,13,13-Tetramethyl-2,3,4a,6,7,11,12,12a-octahydro-6,10-methanobenzo[10]annulene-4,5,8(1H)-trione→1,1-Dibromo-2,2,3,3-tetramethylcyclopropane→(4aS,6R,12aS)-9,12a,13,13-Tetramethyl-2,3,6,7,8,11,12,12a-octahydro-6,10-methanobenzo[10]annulene-4,5(1H,4aH)-dione→(Vinyl)magnesium bromide→1,1,2,2-Tetramethylethylene→2-Hydroxy-2-methylbutanoic acid→2-Propen-1-one→3-(3-Isopropenyl-4-methyl-3-pentenyl)-2-cyclohexen-1-one→3-Bromo-2,4-dimethylpenta-1,3-diene→3-Ethenylcyclohex-2-en-1-one→3-Ethoxy-2-cyclohexen-1-one→Aluminum trimethanide→Methylmagnesium bromide→Bromoform→Trimethyl([(3S)-3-methyl-3-[4-methyl-3-(prop-1-en-2-yl)pent-3-en-1-yl]cyclohex-1-en-1-yl]oxy)silane→(2beta,4alpha,10beta,13alpha)-10-[(Triethylsilyl)oxy](2-~2~H)taxa-5,11-diene-2,4,13-triol→(2S,3S)-2,3-Dimethyl-3-[4-methyl-3-(prop-1-en-2-yl)pent-3-en-1-yl]-2-(prop-2-enoyl)cyclohexan-1-one→(2S,3S)-3-Methyl-3-[4-methyl-3-(prop-1-en-2-yl)pent-3-en-1-yl]-2-(prop-2-enoyl)cyclohexan-1-one
4-methoxybenzene-1,2-diamine dihydrochloride→diethyl oxalate→6-methoxyquinoxaline-2,3-diol→3-chloro-7-methoxyquinoxalin-2-ol→(2S,4S)-1-tert-butyl 2-methyl 4-(((4-bromophenyl)sulfonyl)oxy)pyrrolidine-1,2-dicarboxylate→1-(tert-butyl) 2-methyl (2S,4R)-4-((3-chloro-7-methoxyquinoxalin-2-yl)oxy)pyrrolidine-1,2-dicarboxylate→methyl (2S,4R)-4-((3-chloro-7-methoxyquinoxalin-2-yl)oxy)pyrrolidine-2-carboxylate hydrochloride→(R)-3,3-dimethyl-2-((((1R,2R)-2-(pent-4-en-1-yl)cyclopropoxy)carbonyl)amino)butanoic acid→methyl (2S,4R)-4-((3-chloro-7-methoxyquinoxalin-2-yl)oxy)-1-((S)-3,3-dimethyl-2-((((1R,2R)-2-(pent-4-en-1-yl)cyclopropoxy)carbonyl)amino)butanoyl)pyrrolidine-2-carboxylate→potassium trifluoro(vinyl)borate→methyl (2S,4R)-1-((S)-3,3-dimethyl-2-((((1R,2R)-2-(pent-4-en-1-yl)cyclopropoxy)carbonyl)amino)butanoyl)-4-((7-methoxy-3-vinylquinoxalin-2-yl)oxy)pyrrolidine-2-carboxylate→GRAZ-012→methyl (33R,35S,91R,92R,5S,E)-5-(tert-butyl)-17-methoxy-4,7-dioxo-2,8-dioxa-6-aza-1(2,3)-quinoxalina-3(3,1)-pyrrolidina-9(1,2)-cyclopropanacyclotetradecaphan-13-ene-35-carboxylate→methyl (33R,35S,91R,92R,5S)-5-(tert-butyl)-17-methoxy-4,7-dioxo-2,8-dioxa-6-aza-1(2,3)-quinoxalina-3(3,1)-pyrrolidina-9(1,2)-cyclopropanacyclotetradecaphane-35-carboxylate→(33R,35S,91R,92R,5S)-5-(tert-butyl)-17-methoxy-4,7-dioxo-2,8-dioxa-6-aza-1(2,3)-quinoxalina-3(3,1)-pyrrolidina-9(1,2)-cyclopropanacyclotetradecaphane-35-carboxylic acid→(1R,2S)-1-amino-N-(cyclopropylsulfonyl)-2-vinylcyclopropanecarboxamide hydrochloride→(33R,35S,91R,92R,5S)-5-(tert-butyl)-N-((1R,2S)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylcyclopropyl)-17-methoxy-4,7-dioxo-2,8-dioxa-6-aza-1(2,3)-quinoxalina-3(3,1)-pyrrolidina-9(1,2)-cyclopropanacyclotetradecaphane-35-carboxamide→but-3-en-1-ylmagnesium bromide→acrylaldehyde→(E)-(hepta-1,6-dien-1-yloxy)trimethylsilane→trimethyl(2-(pent-4-en-1-yl)cyclopropoxy)silane→2-(pent-4-en-1-yl)cyclopropan-1-ol→(1R,2R)-2-(pent-4-en-1-yl)cyclopropyl acetate→(1R,2R)-2-(pent-4-en-1-yl)cyclopropan-1-ol→methyl (S)-2-isocyanato-3,3-dimethylbutanoate→methyl (S)-3,3-dimethyl-2-((((1R,2R)-2-(pent-4-en-1-yl)cyclopropoxy)carbonyl)amino)butanoate
2-Propenal→2,3-Dibromopropanal→2-Bromo-1,1,3-triethoxypropane→1,3,3-Triethoxyprop-1-ene→1,2-Dibromo-1,3,3-triethoxypropane→2-Bromo-3,3-diethoxypropanal→2,5,6-Triaminopyrimidin-4(5H)-one hydrochloride→2-Amino-6-(diethoxymethyl)pteridin-4(1H)-one→N-[6-(Diethoxymethyl)-4-oxo-1,4-dihydropteridin-2-yl]acetamide→N-(6-Formyl-4-oxo-1,4-dihydropteridin-2-yl)acetamide→N-(4-Aminobenzoyl)-L-glutamic acid→N-([4-[[[2-(Acetylamino)-4-oxo-1,4-dihydropteridin-6-yl]methyl](formyl)amino]phenyl]carbonyl)-L-glutamic acid→N-[[4-([[2-(Acetylamino)-4-oxo-1,4-dihydropteridin-6-yl]methyl]amino)phenyl]carbonyl]-L-glutamic acid
2-Cyanoacetic acid ethyl ester→Aminoformamidine hydrochloride→2,4-Diamino-6-hydroxypyrimidine→2,4-Diamino-6-hydroxy-5-nitrosopyrimidine→2,5,6-Triaminopyrimidin-4(5H)-one→2-Propenal→Methyl 4-aminobenzoate→Methyl 4-[[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino]benzoate→L-Glutamic acid monosodium salt
(3S,4aR,6R,11S,12aS)-3-Bromo-9,12a,13,13-tetramethyl-11-[(triethylsilyl)oxy]-2,3,4a,6,7,11,12,12a-octahydro-6,10-methanobenzo[10]annulene-4,5,8(1H)-trione→(3S,4aR,6R,12aR)-3-Bromo-9,12a,13,13-tetramethyl-2,3,4a,6,7,11,12,12a-octahydro-6,10-methanobenzo[10]annulene-4,5,8(1H)-trione→(4aS,6R,11S,12aS)-9,12a,13,13-Tetramethyl-11-[(triethylsilyl)oxy]-4a,6,7,11,12,12a-hexahydro-6,10-methanobenzo[10]annulene-4,5,8(1H)-trione→(4aS,6R,12aS)-9,12a,13,13-Tetramethyl-2,3,4a,6,7,11,12,12a-octahydro-6,10-methanobenzo[10]annulene-4,5,8(1H)-trione→1,1-Dibromo-2,2,3,3-tetramethylcyclopropane→(4aS,6R,12aS)-9,12a,13,13-Tetramethyl-2,3,6,7,8,11,12,12a-octahydro-6,10-methanobenzo[10]annulene-4,5(1H,4aH)-dione→(Vinyl)magnesium bromide→1,1,2,2-Tetramethylethylene→2-Hydroxy-2-methylbutanoic acid→2-Propen-1-one→3-(3-Isopropenyl-4-methyl-3-pentenyl)-2-cyclohexen-1-one→3-Bromo-2,4-dimethylpenta-1,3-diene→3-Ethenylcyclohex-2-en-1-one→3-Ethoxy-2-cyclohexen-1-one→Aluminum trimethanide→Methylmagnesium bromide→Bromoform→Trimethyl([(3S)-3-methyl-3-[4-methyl-3-(prop-1-en-2-yl)pent-3-en-1-yl]cyclohex-1-en-1-yl]oxy)silane→(2beta,4alpha,10beta,13alpha)-10-[(Triethylsilyl)oxy](2-~2~H)taxa-5,11-diene-2,4,13-triol→(2S,3S)-2,3-Dimethyl-3-[4-methyl-3-(prop-1-en-2-yl)pent-3-en-1-yl]-2-(prop-2-enoyl)cyclohexan-1-one→(2S,3S)-3-Methyl-3-[4-methyl-3-(prop-1-en-2-yl)pent-3-en-1-yl]-2-(prop-2-enoyl)cyclohexan-1-one
2-Propenal→2,3-Dibromopropanal→2-Bromo-1,1,3-triethoxypropane→1,3,3-Triethoxyprop-1-ene→1,2-Dibromo-1,3,3-triethoxypropane→2-Bromo-3,3-diethoxypropanal→2,5,6-Triaminopyrimidin-4(5H)-one hydrochloride→2-Amino-6-(diethoxymethyl)pteridin-4(1H)-one→N-[6-(Diethoxymethyl)-4-oxo-1,4-dihydropteridin-2-yl]acetamide→N-(6-Formyl-4-oxo-1,4-dihydropteridin-2-yl)acetamide→N-(4-Aminobenzoyl)-L-glutamic acid→N-([4-[[[2-(Acetylamino)-4-oxo-1,4-dihydropteridin-6-yl]methyl](formyl)amino]phenyl]carbonyl)-L-glutamic acid→N-[[4-([[2-(Acetylamino)-4-oxo-1,4-dihydropteridin-6-yl]methyl]amino)phenyl]carbonyl]-L-glutamic acid
2-Cyanoacetic acid ethyl ester→Aminoformamidine hydrochloride→2,4-Diamino-6-hydroxypyrimidine→2,4-Diamino-6-hydroxy-5-nitrosopyrimidine→2,5,6-Triaminopyrimidin-4(5H)-one→2-Propenal→Methyl 4-aminobenzoate→Methyl 4-[[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino]benzoate→L-Glutamic acid monosodium salt
2-(4-Phenoxyphenyl)-6-(piperidin-4-yl)pyridine-3-carboxamide→3-Nitropropanal→3-Oxo-3-(4-phenoxyphenyl)propanamide→1-Benzylpiperidin-4-one→1-[(4-Methoxyphenyl)methyl]piperidin-4-one→Acrylaldehyde→1,1-Dimethoxy-3-nitropropane→1,1-Diethoxy-3-nitropropane→1-Benzyl-4-(3,3-dimethoxy-1-nitropropyl)piperidin-4-ol→1-Benzyl-4-(3,3-diethoxy-1-nitropropyl)piperidin-4-ol→4-(3,3-Diethoxy-1-nitropropyl)-1-[(4-methoxyphenyl)methyl]piperidin-4-ol→(2Z)-5-(1-Benzyl-4-hydroxypiperidin-4-yl)-5-nitro-2-(4-phenoxybenzoyl)pent-2-enamide→(2Z)-5-[4-Hydroxy-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-5-nitro-2-(4-phenoxybenzoyl)pent-2-enamide
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