80594-88-3

Basic information

• Product Name: Cyclohexanone, 2-methyl-6-nitro-, trans-
• CAS NO: 80594-88-3
• Molecular Formula: C7H11NO3
• Molecular Weight: 157.169
• Mol File: 80594-88-3.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Cyclohexanone, 2-methyl-6-nitro-, trans-(CAS DataBase Reference)
• NIST Chemistry Reference: Cyclohexanone, 2-methyl-6-nitro-, trans-(80594-88-3)
• EPA Substance Registry System: Cyclohexanone, 2-methyl-6-nitro-, trans-(80594-88-3)

Safety Data

• Hazardous Substances Data: 80594-88-3(Hazardous Substances Data)

Upstream product

• 4883-67-4 2-nitrocyclohexanone 
• 74-88-4 methyl iodide 
• 1196-73-2 1-acetoxy-2-methylcyclohexene 
• 1541-29-3 6-methyl-1-acetoxycyclohexene 
• 19980-33-7 6-methyl-1-trimethylsiloxycyclohex-1-ene 

Relevant articles and documents

α-Nitro Ketones. 6. Synthesis and Conformation of 2-Methyl-2-nitro-, cis- and trans-6-Methyl-2-nitro-, and cis- and trans-2,6-Dimethyl-2-nitrocyclohexanones

Nitration of the most substituted (thermodynamically more stable) enol acetate or trimethylsilyl ether of 2-methylcyclohexanone and the phase-transfer methylation of 2-nitrocyclohexanone serve as methods of preparation of 2-methyl-2-nitrocyclohexanone, whereas nitration of the least substituted enol acetate or trimethylsilyl ether of 2-methylcyclohexanone and methylation of the dianion of 2-nitrocyclohexanone lead to cis- and trans-6-methyl-2-nitrocyclohexanone.Nitration of the enol acetate or trimethylsilyl ether of 2,6-dimethylcyclohexanone and methylation of either2-methyl-2-nitro- or 6-methyl-2-nitrocyclohexanone are methods of preparation of cis- and trans-2,6-dimethyl-2-nitrocyclohexanone. 1H NMR chemical shift and coupling constant data were used to determine the preferred conformations of the cyclohexanones: 2(e)-methyl-2(a)-nitro, cis-6(e)-methyl-2(e)-nitro, trans-6(e)-methyl-2(a)-nitro, cis-2(e),6(e)-dimethyl-2(a)-nitro, trans-2(a)-methyl-6(e)-methyl-2(e)-nitro.