340175-53-3

Basic information

• Product Name: (E)-4-Hydroxy-5,5-dimethyl-1-phenyl-hex-2-en-1-one
• Synonyms: (E)-4-Hydroxy-5,5-dimethyl-1-phenyl-hex-2-en-1-one
• CAS NO: 340175-53-3
• Molecular Weight: 218.296
• Mol File: 340175-53-3.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: (E)-4-Hydroxy-5,5-dimethyl-1-phenyl-hex-2-en-1-one(CAS DataBase Reference)
• NIST Chemistry Reference: (E)-4-Hydroxy-5,5-dimethyl-1-phenyl-hex-2-en-1-one(340175-53-3)
• EPA Substance Registry System: (E)-4-Hydroxy-5,5-dimethyl-1-phenyl-hex-2-en-1-one(340175-53-3)

Safety Data

• Hazardous Substances Data: 340175-53-3(Hazardous Substances Data)

Upstream product

• 59562-82-2 3,3-dimetylbutan-1,2-diol 
• 128495-76-1 3,3-dimethyl-2-hydroxybutanal 
• 20913-05-7 (Benzoylmethylene)triphenylphosphorane 

Downstream Products

• 340175-55-5 (E)-4-Fluoro-5,5-dimethyl-1-phenyl-hex-2-en-1-one 

Relevant articles and documents

Conformations of allylic fluorides and stereoselectivities of their Diels-Alder cycloadditions

The preparations of new allylic fluorides from the corresponding alcohols are reported. Conformational analysis is achieved by comparison of experimental NMR measurements with theoretical (B3LYP) calculations of relative energies of conformers and JH,H and JH,F coupling constants. The Diels-Alder reactions of allylic fluorides are investigated experimentally and theoretically. The stereoselectivities of the reactions were determined by NMR analysis and, in one case, by X-ray crystallography. Theoretical predictions of stereoselectivity based upon transition state modeling provided good agreement with experiment. Theoretical models for allylic fluorides and transition state conformations are reported.