881013-23-6

Basic information

• Product Name: Butanoic acid, 2-[(4-methylphenyl)methylene]-, methyl ester, (2E)-
• CAS NO: 881013-23-6
• Molecular Formula: C13H16O2
• Molecular Weight: 204.269
• Mol File: 881013-23-6.mol

Chemical Properties

• CAS DataBase Reference: Butanoic acid, 2-[(4-methylphenyl)methylene]-, methyl ester, (2E)-(CAS DataBase Reference)
• NIST Chemistry Reference: Butanoic acid, 2-[(4-methylphenyl)methylene]-, methyl ester, (2E)-(881013-23-6)
• EPA Substance Registry System: Butanoic acid, 2-[(4-methylphenyl)methylene]-, methyl ester, (2E)-(881013-23-6)

Safety Data

• Hazardous Substances Data: 881013-23-6(Hazardous Substances Data)

Upstream product

• 75-24-1 trimethylaluminum 
• 177838-03-8 methyl (2Z)-3-(4'-methylphenyl)-2-chloromethylpropenoate 

Relevant articles and documents

Mapping the mechanism of nickel-ferrophite catalysed methylation of baylis-hillman-derived SN2′ electrophiles

Enantioselective Ni-catalysed methylation of Baylis-Hillman-derived allylic electrophiles in the presence of ferrophite ligands has been investigated computationally and experimentally. The sense and degree of enantioselectivity attained is independent of both the leaving group and the isomeric structure of the initial allylic halide. DFT studies support the selective formation of a limited number of energetically favoured anti and syn π-allyl intermediates. The observed regio- and enantioselectivity can be rationalised based on the energetics of these structures.