18349-20-7

Basic information

• Product Name: 4-Methylcyclohexanone dimethyl acetal
• Synonyms: 4-Methyl-1,1-dimethoxycyclohexane;4-Methylcyclohexanone dimethyl acetal
• CAS NO: 18349-20-7
• Molecular Formula: C₉H₁₈O₂
• Molecular Weight: 158.24
• Mol File: 18349-20-7.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 177.8±13.0 °C(Predicted)
• Appearance: /
• Density: 0.91±0.1 g/cm3(Predicted)
• CAS DataBase Reference: 4-Methylcyclohexanone dimethyl acetal(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Methylcyclohexanone dimethyl acetal(18349-20-7)
• EPA Substance Registry System: 4-Methylcyclohexanone dimethyl acetal(18349-20-7)

Safety Data

• Hazardous Substances Data: 18349-20-7(Hazardous Substances Data)

Upstream product

• 67-56-1 methanol 
• 589-92-4 1-methylcyclohexan-4-one 
• 149-73-5 trimethyl orthoformate 

Downstream Products

• 105644-24-4 1,1-Dibromo-4-methyl-cyclohexane 
• 31053-84-6 1-bromo-4-methyl-1-cyclohexene 
• 27470-41-3 4-methylcyclohexane-1,1-diyl dihydroperoxide 
• 873312-16-4 4-methyl-2-trifluoroacetyl-1-methoxycyclohexene 
• 589-92-4 1-methylcyclohexan-4-one 

Relevant articles and documents

Synthesis, 17O NMR spectroscopy and structure of 2-trifluoroacetyl-1-methoxycycloalkenes

Among the synthesis of a series of five well-known 2-trifluoroacetyl-1- methoxycycloalkenes derived from cyclopentanone and substituted cyclohexanones, this paper describes the synthesis of three new 2-trifluoroacetyl-1- methoxycycloalkenes derived from cycloheptanone, cyclooctanone and cyclododecanone in 60-68% yield. Subsequently, the 17O NMR chemical shift analysis of the carbonyl and the methoxy groups for these cyclic molecules clearly showed the electron push-pull phenomenon and revealed large and irregular variations of 17O NMR chemical shifts with the ring size. Finally, a more stable conformation of these trifluoroacetyl-containing cycloalkenes was determined by energy minimization calculations using Austin Model 1 (AM1) semi-empirical method and correlations between 17O NMR data and torsion angles or oxygen net charge calculated by AM1 semi-empirical method were performed.

Synthesis of a new water-soluble C2-symmetric chiral diamine: Preliminary investigation of its catalytic properties for asymmetric hydrogenation under biphasic conditions

A water-soluble version of N,N′-dimethyl-1,2-diphenylethane-1,2-diamine was prepared by introduction of phosphonic acid moieties on the para position of the aromatic rings. Preliminary investigation of the catalytic properties of the iridium complex of this ligand under biphasic conditions showed that this system compared well with the homogeneous counterpart for the asymmetric hydrogenation of ketones but with noticeably higher reaction rates for the biphasic system.