32400-29-6

Basic information

• Product Name: Hexanoic acid,2-methyl-, ethyl ester
• Synonyms: (?à)-Ethyl 2-methylhexanoate;2-Methylhexanoic acid ethyl ester; Ethyl 2-methylhexanoate; Ethyl a-methylcaproate; Ethyl a-methylhexanoate
• CAS NO: 32400-29-6
• Molecular Formula: C9H18 O2
• Molecular Weight: 158.241
• Mol File: 32400-29-6.mol
• Article Data: 7

Chemical Properties

• CAS DataBase Reference: Hexanoic acid,2-methyl-, ethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Hexanoic acid,2-methyl-, ethyl ester(32400-29-6)
• EPA Substance Registry System: Hexanoic acid,2-methyl-, ethyl ester(32400-29-6)

Safety Data

• Hazardous Substances Data: 32400-29-6(Hazardous Substances Data)

Upstream product

• 592-41-6 1-hexene 
• 64-17-5 ethanol 
• 201230-82-2 carbon monoxide 

Downstream Products

• 55309-94-9 (Z)-7-[(1S,2S)-2-((E)-(S)-3-Hydroxy-4-methyl-oct-1-enyl)-5-oxo-cyclopentyl]-hept-5-enoic acid 
• 55309-94-9 (Z)-7-[(1S,2S)-2-((E)-(R)-3-Hydroxy-4-methyl-oct-1-enyl)-5-oxo-cyclopentyl]-hept-5-enoic acid 
• 925-54-2 2-methylhexanal 
• 624-22-6 2-methylhexan-1-ol 

Relevant articles and documents

Hydroethoxycarbonylation of α-olefins at low pressure of carbon(II) oxide in the presence of the PdCl2(PPh3)2–PPh3–AlCl3 system

High catalytic activity of the PdCl2(PPh3)2–PPh3–AlCl3 system containing AlCl3 as promotor has been demonstrated in the reaction of hydroethoxycarbonylation of hexene-1 and octene-1 at low pressure of carbon(II) oxide (≤25 atm). The reaction yields linear and branched products. The optimal conditions of the process have been elaborated. The target products yield is 84.6–93.8%.

Palladium complexes with N-heterocyclic carbene ligands as catalysts for the alkoxycarbonylation of olefins

Palladium catalysts, generated from Pd(OAc)2 and 2 equiv of N,N-dialkylbenzimidazolium iodide, are effective for the alkoxycarbonylation of olefins in high yields (>90%). Alkoxycarbonylation of 1-hexene in dimethylacetamide is achieved within 24 h at 110 C using 1 mol % catalyst, 1000 psi CO, and ethanol. Reactions can be prepared in air, without the need of an acid additive to produce ethyl 2-methylhexanoate and ethyl heptanoate in approximately a 2:1 ratio.

Hydroalkoxycarbonylation of olefins in the presence of palladium phosphine complexes: High activity and regioselectivity

Several types of catalyst systems were examined in the olefin hydroalkoxycarbonylation reaction. The systems contained Pd(PPh 3)4, PdCl2(PPh3)2, or some other palladium compounds as a principal component. The second component (promoter) was p-toluenesulfonic acid or diphenyl(m-sulfophenyl)phosphine, which combines both the ligand and promoter functions. An important feature of these systems is their high activity in the hydroalkoxycarbonylation of ethylene and a high regioselectivity (83-100%) in the hydroalkoxycarbonylation of α-olefins with respect to linear products. Thus, it was unnecessary to introduce additional stabilizing ligands to augment the catalyst and promoter. The esters obtained can find application in the pharmaceutical industry and perfumery, as well as in other industries. Nauka/Interperiodica 2006.