62462-05-9

Basic information

• Product Name: 5-METHOXY-3-OXOVALERIC ACID METHYL ESTER
• Synonyms: 5-Methoxy-3-oxopentanoic acid methyl ester;3-Keto-5-methoxyvaleric Acid Methyl Ester 5-Methoxy-3-oxovaleric Acid Methyl Ester Methyl 3-Keto-5-methoxyvalerate;METHYL 5-METHOXY-3-OXOPENTANOATE;METHYL 5-METHOXY-3-OXOVALERATE;METHYL 3-KETO-5-METHOXYVALERATE;5-METHOXY-3-OXOVALERIC ACID METHYL ESTER;3-KETO-5-METHOXYVALERIC ACID METHYL ESTER;NAZAROV REAGENT
• CAS NO: 62462-05-9
• Molecular Formula: C₇H₁₂O₄
• Molecular Weight: 160.17
• EINECS: 263-553-9
• Mol File: 62462-05-9.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 56-57 °C0.1 mm Hg(lit.)
• Flash Point: 104 °C
• Appearance: black and yellow transparent liquid
• Density: 1.10 g/mL at 20 °C(lit.)
• Vapor Pressure: 0.184mmHg at 25°C
• Refractive Index: n20/D 1.44
• PKA: 10.38±0.46(Predicted)
• BRN: 2042099
• CAS DataBase Reference: 5-METHOXY-3-OXOVALERIC ACID METHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 5-METHOXY-3-OXOVALERIC ACID METHYL ESTER(62462-05-9)
• EPA Substance Registry System: 5-METHOXY-3-OXOVALERIC ACID METHYL ESTER(62462-05-9)

Safety Data

• WGK Germany: 3
• Hazardous Substances Data: 62462-05-9(Hazardous Substances Data)

Usage

Synthesis Reference(s)

Synthesis, p. 622, 1979 DOI: 10.1055/s-1979-28786

InChI:InChI=1/C7H12O4/c1-10-4-3-6(8)5-7(9)11-2/h3-5H2,1-2H3

Upstream product

• 2544-06-1 3-Methoxypropionic acid 
• 38330-80-2 monomethyl monopotassium malonate 
• 4244-59-1 methoxypropionyl chloride 
• 126-81-8 dimedone 
• 110-67-8 3-Methoxypropionitrile 
• 96-32-2 bromoacetic acid methyl ester 
• 105197-76-0 methyl 5-methoxy-3-oxo-2-(triphenylphosphoranylidene)pentanoate 
• 111483-43-3 ethyl 5-methoxy-2-acetyl-3-oxopentanoate 
• 107-30-2 chloromethyl methyl ether 
• 105-45-3 acetoacetic acid methyl ester 
• 71674-14-1 1,1,1,5-tetrachloro-pentan-3-one 
• 124-41-4 sodium methylate 

Downstream Products

• 1607474-27-0 trans-N-[4-(2-{4-[2-tert-butyl-6-(2-methoxyethyl)pyrimidin-4-yl]piperazin-1-yl}ethyl)cyclohexyl]acetamide 
• 1607474-28-1 trans-[4-(2-{4-[2-tert-butyl-6-(2-methoxyethyl)pyrimidin-4-yl]piperazin-1-yl}ethyl)cyclohexyl]carbamic acid tert-butyl ester 
• 1607474-29-2 trans-4-(2-{4-[2-tert-butyl-6-(2-methoxyethyl)pyrimidin-4-yl]piperazin-1-yl}ethyl)cyclohexylamine 
• 1607474-43-0 cis-N-[4-(2-{4-[2-tert-butyl-6-(2-trifluoromethoxyethyl)pyrimidin-4-yl]piperazin-1-yl}ethyl)cyclohexyl]acetamide 
• 1607474-44-1 trans-N-[4-(2-{4-[2-tert-butyl-6-(2-trifluoromethoxyethyl)pyrimidin-4-yl]piperazin-1-yl}ethyl)cyclohexyl]acetamide 
• 1607474-46-3 4-[2-tert-butyl-6-(2-hydroxyethyl)pyrimidin-4-yl]piperazine-1-carboxylic acid benzyl ester 
• 1607474-48-5 4-[5-bromo-2-tert-butyl-6-(2-trifluoromethoxyethyl)pyrimidin-4-yl]piperazine-1-carboxylic acid benzyl ester 
• 1607474-54-3 trans-N-[4-(2-{4-[2-tert-butyl-6-(2-methoxyethyl)pyrimidin-4-yl]piperazin-1-yl}ethyl)cyclohexyl]formamide 
• 1607474-59-8 trans-N-[4-(2-{4-[2-tert-butyl-6-(2-hydroxyethyl)pyrimidin-4-yl]piperazin-1-yl}ethyl)cyclohexyl]acetamide 
• 1100718-99-7 methyl 5-methoxy-3-{[(4-methylphenyl)sulfonyl]oxy}pentanoate 
• 1029026-01-4 methyl 5-cyano-4-(2,4-dichlorophenyl)-2-(2-methoxyethyl)-6-methyl-1,4-dihydropyridine-3-carboxylate 
• 848818-43-9 5-chloro-2-(5-methoxy-3-oxo-pentanoylamino)-benzoic acid methyl ester 
• 927663-90-9 4-(3-bromo-4-fluoro-phenyl)-2-(2-methoxy-ethyl)-5-oxo-4,5,6,8-tetrahydro-1H-pyrano[3,4-b]pyridine-3-carboxylic acid methyl ester 

Relevant articles and documents

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ACYLAMINOCYCLOALKYL COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF DOPAMINE D3 RECEPTOR

The present invention relates to novel acylaminocycloalkyl compounds, in particular to the compounds of the formula (I) as described herein and to their salts and N-oxides. The compounds possess valuable therapeutic properties and are suitable, in particular, for treating diseases that respond to modulation of the dopamine D3 receptor. In formula (I), the variables have the following meanings: m is 1 or 2, n is 1 or 2, A is selected from the group consisting of CH2, CH2CH2, CHFCH2 and CF2CH2, R1 is hydrogen or C1-C3-alkyl, R2 is selected from the group consisting of hydrogen, and fluorine, R3a is selected from the group consisting of hydrogen and methyl, R3b is selected from the group consisting of hydrogen and methyl, R4 is branched C4-C6 alkyl or branched fluorinated C4-C6 alkyl, and R5 is an oxygen containing radical such as C1-C2-alkoxy-C1-C4-alkyl, fluorinated C1-C2-alkoxy-C1-C4-alkyl, hydroxy-C1-C4-alkyl, fluorinated hydroxy-C1-C4-alkyl, oxetanyl, fluorinated oxetanyl, oxolanyl, fluorinated oxolanyl, C3-C5 cycloalkyl, fluorinated C3-C5 cycloalkyl, C3-C5 cycloalkoxy-C1-C4-alkyl and fluorinated C3-C5 cycloalkoxy-C1-C4-alkyl.

IMPROVED SYNTHESIS OF METHYL 5-METHOXY-3-OXOPENTANOATE

Ethyl 5-methoxy-2-acetyl-3-oxopentanoate was obtained by the acylation of the magnesium enolate of acetoacetic ester with β-methoxypropionyl chloride.Its ketone cleavage led to methyl 5-methoxy-3-oxopentanoate.