86042-88-8

Basic information

• Product Name: methyl 4-methyl 5-oxo 5(3'bromo)phenyl pentanoate
• CAS NO: 86042-88-8
• Molecular Weight: 299.164
• Mol File: 86042-88-8.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: methyl 4-methyl 5-oxo 5(3'bromo)phenyl pentanoate(CAS DataBase Reference)
• NIST Chemistry Reference: methyl 4-methyl 5-oxo 5(3'bromo)phenyl pentanoate(86042-88-8)
• EPA Substance Registry System: methyl 4-methyl 5-oxo 5(3'bromo)phenyl pentanoate(86042-88-8)

Safety Data

• Hazardous Substances Data: 86042-88-8(Hazardous Substances Data)

Upstream product

• 19829-31-3 1-(3-bromophenyl)-1-propanone 
• 292638-85-8 acrylic acid methyl ester 

Downstream Products

• 86042-91-3 (5R,6R)-6-(3-Bromo-phenyl)-5,6-dimethyl-tetrahydro-pyran-2-one 
• 86042-91-3 (5S,6R)-6-(3-Bromo-phenyl)-5,6-dimethyl-tetrahydro-pyran-2-one 
• 86042-92-4 3-((2R,3R)-2,3-Dimethyl-6-oxo-tetrahydro-pyran-2-yl)-benzonitrile 
• 86042-92-4 3-((2R,3S)-2,3-Dimethyl-6-oxo-tetrahydro-pyran-2-yl)-benzonitrile 

Relevant articles and documents

δ-LACTONES FROM δ-KETOESTERS-II; MECHANISM CHANGES IN ALKYLATION REACTIONS AND SUBSTITUENT EFFECTS ON STEREOSELECTION

Alkylation of methyl 4-methyl 5-oxo 5-phenyl (m and p-X substituted) pentanoates 1a-h give cis and trans tetrahydro 5,6-dimethyl 6-phenyl 2H pyran-2-ones.LFER of isomer ratios as function of the X substituent on the phenyl ring is seen in MeLi-Et2O.The lactone ratios of the reactions in THF with MeMgCl are not affected by the X phenyl substituent, while a more complex situation is showed by reactions of MeMgCl in Et2O and benzene.Changes in the cis: trans-ratios with variations in reactant and solvent are discussed in terms of equilibrium between folded and unfolded conformations in transition states.