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CAS 42558-54-3
4-Methyl-3-oxopentanoic acid methyl estermethyl 4-methyl-3-oxopentanoate
Codes: Atorvastatin-040, ROSU-046
Application context (from source-drug indications)
Cardiac and vascular disordersAtorvastatin/Hydrochlorothiazide/Aspirin/EnalaprilHypertensionAtorvastatin/Hydrochlorothiazide/Aspirin/EnalaprilHyperlipidaemiaAtorvastatin/Hydrochlorothiazide/Aspirin/EnalaprilHeart diseaseAtorvastatin/Hydrochlorothiazide/Aspirin/EnalaprilHypertensionFimasartan potassium trihydrate/Rosuvastatin calciumDyslipidaemiaFimasartan potassium trihydrate/Rosuvastatin calciumHypertensionRosuvastatin Calcium/TelmisartanHyperlipidaemiaRosuvastatin Calcium/TelmisartanHyperlipidaemiaAtorvastatin strontiumSubarachnoid haemorrhageAtorvastatin strontiumHypertensionAtorvastatin strontiumHomozygous familial hypercholesterolaemiaRosuvastatin CalciumHeterozygous familial hypercholesterolaemiaRosuvastatin CalciumHyperlipoproteinaemia type IIIRosuvastatin CalciumAtherosclerosisRosuvastatin CalciumHyperlipoproteinaemia type IIRosuvastatin CalciumHypercholesterolaemiaRosuvastatin Calcium
Source drugs (routes using this intermediate)
| Drug | Tier | Expiry |
|---|---|---|
| Atorvastatin/Hydrochlorothiazide/Aspirin/Enalapril | Tier C — Watch / trade | - |
| Fimasartan potassium trihydrate/Rosuvastatin calcium | Tier C — Watch / trade | - |
| Rosuvastatin Calcium/Telmisartan | Tier C — Watch / trade | - |
| Atorvastatin strontium | Tier C — Watch / trade | - |
| Rosuvastatin Calcium | Tier B — Position early | - |
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.
4-Methyl-3-oxopentanoic acid methyl ester→4-Methyl-3-oxopentanoic acid 4-methoxybenzyl ester→Benzaldehyde→2-Benzylidene-4-methyl-3-oxopentanoic acid 4-methoxybenzyl ester→1-[3(R)-[tert-Butyl(dimethyl)silyloxy]-5-hydroxypentyl]-5-(4-fluorophenyl)-2-isopropyl-4-phenyl-1H-pyrrole-3-carboxylic acid→(4-Fluorophenyl)methanone→2-[2-(4-Fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxopentanoic acid 4-methoxybenzyl ester→5-Amino-3(R)-[tert-butyl(dimethyl)silyloxy]pentan-1-ol→1-[3(R)-[tert-Butyl(dimethyl)silyloxy]-5-hydroxypentyl]-5-(4-fluorophenyl)-2-isopropyl-4-phenyl-1H-pyrrole-3-carboxylic acid 4-methoxybenzyl ester→Aminobenzene→1-[3(R)-[tert-butyl(dimethyl)silyloxy]-5-hydroxypentyl]-5-(4-fluorophenyl)-2-isopropyl-N,4-diphenyl-1H-pyrrole-3-carboxamide→1-[3(R)-[tert-Butyl(dimethyl)silyloxy]-5-oxopentyl]-5-(4-fluorophenyl)-2-isopropyl-N,4-diphenyl-1H-pyrrole-3-carboxamide
4-fluorobenzaldehyde→N-(5-((diphenylphosphoryl)methyl)-4-(4-fluorophenyl)-6-isopropylpyrimidin-2-yl)-N-methylmethanesulfonamide→N-(4-(4-fluorophenyl)-5-((E)-2-((2S,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl)vinyl)-6-isopropylpyrimidin-2-yl)-N-methylmethanesulfonamide→methyl 4-methyl-3-oxopentanoate→urea→methyl 4-(4-fluorophenyl)-6-isopropyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate→methyl 4-(4-fluorophenyl)-2-hydroxy-6-isopropylpyrimidine-5-carboxylate→N-methylmethanesulfonamide→methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidine-5-carboxylate→N-(4-(4-fluorophenyl)-5-(hydroxymethyl)-6-isopropylpyrimidin-2-yl)-N-methylmethanesulfonamide→N-(5-(bromomethyl)-4-(4-fluorophenyl)-6-isopropylpyrimidin-2-yl)-N-methylmethanesulfonamide→tert-butyl (4S,6S)-6-formyl-2,2-dimethyl-1,3-dioxane-4-carboxylate→tert-butyl (4S,6S)-6-((E)-2-(4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidin-5-yl)vinyl)-2,2-dimethyl-1,3-dioxane-4-carboxylate
4-fluorobenzaldehyde→N-(5-((diphenylphosphoryl)methyl)-4-(4-fluorophenyl)-6-isopropylpyrimidin-2-yl)-N-methylmethanesulfonamide→N-(4-(4-fluorophenyl)-5-((E)-2-((2S,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl)vinyl)-6-isopropylpyrimidin-2-yl)-N-methylmethanesulfonamide→methyl 4-methyl-3-oxopentanoate→urea→methyl 4-(4-fluorophenyl)-6-isopropyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate→methyl 4-(4-fluorophenyl)-2-hydroxy-6-isopropylpyrimidine-5-carboxylate→N-methylmethanesulfonamide→methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidine-5-carboxylate→N-(4-(4-fluorophenyl)-5-(hydroxymethyl)-6-isopropylpyrimidin-2-yl)-N-methylmethanesulfonamide→N-(5-(bromomethyl)-4-(4-fluorophenyl)-6-isopropylpyrimidin-2-yl)-N-methylmethanesulfonamide→tert-butyl (4S,6S)-6-formyl-2,2-dimethyl-1,3-dioxane-4-carboxylate→tert-butyl (4S,6S)-6-((E)-2-(4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidin-5-yl)vinyl)-2,2-dimethyl-1,3-dioxane-4-carboxylate
4-Methyl-3-oxopentanoic acid methyl ester→4-Methyl-3-oxopentanoic acid 4-methoxybenzyl ester→Benzaldehyde→2-Benzylidene-4-methyl-3-oxopentanoic acid 4-methoxybenzyl ester→1-[3(R)-[tert-Butyl(dimethyl)silyloxy]-5-hydroxypentyl]-5-(4-fluorophenyl)-2-isopropyl-4-phenyl-1H-pyrrole-3-carboxylic acid→(4-Fluorophenyl)methanone→2-[2-(4-Fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxopentanoic acid 4-methoxybenzyl ester→5-Amino-3(R)-[tert-butyl(dimethyl)silyloxy]pentan-1-ol→1-[3(R)-[tert-Butyl(dimethyl)silyloxy]-5-hydroxypentyl]-5-(4-fluorophenyl)-2-isopropyl-4-phenyl-1H-pyrrole-3-carboxylic acid 4-methoxybenzyl ester→Aminobenzene→1-[3(R)-[tert-butyl(dimethyl)silyloxy]-5-hydroxypentyl]-5-(4-fluorophenyl)-2-isopropyl-N,4-diphenyl-1H-pyrrole-3-carboxamide→1-[3(R)-[tert-Butyl(dimethyl)silyloxy]-5-oxopentyl]-5-(4-fluorophenyl)-2-isopropyl-N,4-diphenyl-1H-pyrrole-3-carboxamide
4-fluorobenzaldehyde→N-(5-((diphenylphosphoryl)methyl)-4-(4-fluorophenyl)-6-isopropylpyrimidin-2-yl)-N-methylmethanesulfonamide→N-(4-(4-fluorophenyl)-5-((E)-2-((2S,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl)vinyl)-6-isopropylpyrimidin-2-yl)-N-methylmethanesulfonamide→methyl 4-methyl-3-oxopentanoate→urea→methyl 4-(4-fluorophenyl)-6-isopropyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate→methyl 4-(4-fluorophenyl)-2-hydroxy-6-isopropylpyrimidine-5-carboxylate→N-methylmethanesulfonamide→methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidine-5-carboxylate→N-(4-(4-fluorophenyl)-5-(hydroxymethyl)-6-isopropylpyrimidin-2-yl)-N-methylmethanesulfonamide→N-(5-(bromomethyl)-4-(4-fluorophenyl)-6-isopropylpyrimidin-2-yl)-N-methylmethanesulfonamide→tert-butyl (4S,6S)-6-formyl-2,2-dimethyl-1,3-dioxane-4-carboxylate→tert-butyl (4S,6S)-6-((E)-2-(4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidin-5-yl)vinyl)-2,2-dimethyl-1,3-dioxane-4-carboxylate
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