2046-21-1

Basic information

• Product Name: methyl 6-oxoheptanoate
• Synonyms: methyl 6-oxoheptanoate;5-Acetylvaleric acid methyl ester;6-Ketoenanthic acid methyl ester;6-Oxoheptanoic acid methyl ester
• CAS NO: 2046-21-1
• Molecular Formula: C₈H₁₄O₃
• Molecular Weight: 158.2
• Mol File: 2046-21-1.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 227℃
• Flash Point: 92℃
• Appearance: /
• Density: 0.981
• Vapor Pressure: 0.0782mmHg at 25°C
• Refractive Index: 1.421
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• CAS DataBase Reference: methyl 6-oxoheptanoate(CAS DataBase Reference)
• NIST Chemistry Reference: methyl 6-oxoheptanoate(2046-21-1)
• EPA Substance Registry System: methyl 6-oxoheptanoate(2046-21-1)

Safety Data

• Hazardous Substances Data: 2046-21-1(Hazardous Substances Data)

Usage

Synthesis Reference(s)

Chemistry Letters, 11, p. 1607, 1982The Journal of Organic Chemistry, 48, p. 1133, 1983 DOI: 10.1021/jo00155a051Tetrahedron Letters, 14, p. 827, 1973

InChI:InChI=1/C8H14O3/c1-7(9)5-3-4-6-8(10)11-2/h3-6H2,1-2H3

Upstream product

• 67-56-1 methanol 
• 583-60-8 2-Methylcyclohexanone 
• 1686-22-2 vanadium(V) oxytriethoxide 
• 106-73-0 methyl heptanoate 
• 186581-53-3 diazomethane 
• 110-83-8 cyclohexene 
• 591-49-1 1-methylcyclohex-1-ene 

Downstream Products

• 102590-03-4 6,6-bis-(4-hydroxy-3,5-dimethyl-phenyl)-heptanoic acid 
• 110663-28-0 6,6-bis-(4-hydroxy-3-methyl-phenyl)-heptanoic acid 
• 55099-47-3 (+/-)-Ethyl 6-hydroxyheptanoate 
• 227751-46-4 5-[1,8]-naphthyridin-2-yl-pentanoic acid methyl ester 
• 227751-47-5 5-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-pentanoic acid methyl ester 
• 253309-50-1 7-(triphenylmethoxy)-2-heptanol 
• 36651-23-7 5-(2-methyl-[1,3]dioxolan-2-yl)-pentan-1-ol 
• 238432-36-5 toluene-4-sulfonic acid 5-(2-methyl-[1,3]dioxolan-2-yl)-pentyl ester 
• 501-02-0 (-)-pinidine 
• 148372-19-4 (2R,6R)-1-<(benzyloxy)methoxy>-6-methylpiperidine-2-methanol 
• 148372-20-7 (2R,6R)-1-Benzyloxymethoxy-6-methyl-piperidine-2-carbaldehyde 
• 128456-64-4 (+/-)-Ethyl 6-phthaloxyheptanoate 
• 128456-64-4 Phthalic acid mono-((S)-5-ethoxycarbonyl-1-methyl-pentyl) ester 

Relevant articles and documents

Iron-catalyzed oxidative functionalization of C(sp3)-H bonds under bromide-synergized mild conditions

An efficient oxidation and functionalization of C-H bonds with an inorganic-ligand supported iron catalyst and hydrogen peroxide to prepare the corresponding ketones was achieved using the bromide ion as a promoter. Preliminary mechanistic investigations indicated that the bromide ion can bind to FeMo6 to form a supramolecular species (FeMo6·2Br), which can effectively catalyze the reaction.

Reaction of 3,5-disubstituted 4,5-dihydroisoxazoles with hexacarbonylmolybdenum

Depending on the reaction conditions and structure of the 5-substituent, reactions of substituted 4,5-dihydroisoxazoles with hexacarbonylmolybdenum involve cleavage of the heteroring at the N-O bond, its aromatization, or/and 1,3-decyclization.

Oxovanadium(V)-Induced Ring-Opening Oxygenation of Cyclic Ketones in Alcohol

Cyclic ketones underwent ring-opening oxygenation on treatment with VO(OEt)Cl2 in alcohol under oxygen to give the corresponding keto ester or diesters depending on the substituent at 2-position.This system was applicable to a catalytic reaction.