5452-36-8

Basic information

• Product Name: 4-methylcycloheptanone
• Synonyms: 4-Methylcycloheptanone; Cycloheptanone, 4-methyl-; Cycloheptanone, 4-methyl-, (-)-
• CAS NO: 5452-36-8
• Molecular Formula: C₈H₁₄O
• Molecular Weight: 126.1962
• Mol File: 5452-36-8.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 184.9°C at 760 mmHg
• Flash Point: 58.6°C
• Density: 0.897g/cm³
• Vapor Pressure: 0.716mmHg at 25°C
• Refractive Index: 1.44
• CAS DataBase Reference: 4-methylcycloheptanone(CAS DataBase Reference)
• NIST Chemistry Reference: 4-methylcycloheptanone(5452-36-8)
• EPA Substance Registry System: 4-methylcycloheptanone(5452-36-8)

Safety Data

• Hazardous Substances Data: 5452-36-8(Hazardous Substances Data)

Upstream product

• 37022-22-3 1-Aminomethyl-4-methyl-cyclohexanol 
• 90200-61-6 optically inactive 4-hydroxy-1-methyl-cycloheptane 
• 615-53-2 ethyl N-methyl-N-nitrosocarbamate 
• 589-92-4 1-methylcyclohexan-4-one 
• 90647-67-9 4-methyl-octanedioic acid 
• 684-93-5 1-methyl-1-nitrosourea 
• 1654-62-2 4-methyl-2,4,6-cycloheptatrien-1-one 
• 98954-71-3 5-methylen-oct-2-enedioic acid 
• 75-89-8 2,2,2-trifluoroethanol 
• 37022-19-8 1-(aminomethyl)-3-methylcyclohexanol 
• 98875-51-5 (+/-)-cis-8,8-dibromobicyclo<5.1.0>oct-2-en-4-one 
• 186581-53-3 diazomethane 
• 10088-62-7 <¹⁴C>-Alternarsaeure 

Downstream Products

• 23799-25-9 1-Methyl-4-methylene-cycloheptane 

Relevant articles and documents

Generation of cycloheptyne during the solvolysis of cyclohexylidenemethyliodonium salt in the presence of base

Solvolysis of 4-methylcyclohexylidenemethyl(phenyl)iodonium tetrafluoroborate (1) and its R isomer (69% ee) was carried out in 2,2,2-trifluoroethanol (TFE) and 1,1,1,3,3,3-hexafluoropropan-2-ol (HFP) in the presence of bases such as acetate, pyridine, triethylamine, and alkoxide. The reaction is much faster in TFE than in HFP. Products in TFE include solely un-rearranged (racemized) enol ether 2 together with iodobenzene, while the main product in HFP is ring-expanded (partially racemized) 1-alkoxycycloheptene 3. Results show that 2 is formed via α-elimination with alkylidenecarbene as an intermediate, while the reaction in HFP to give 3 involves a cycloheptyne intermediate that is mostly derived from an intermediate cyclohept-1-enyl cation via the E1-type pathway.