5333-31-3

Basic information

• Product Name: 4-methylcyclohex-1-ene-1-carboxylic acid
• CAS NO: 5333-31-3
• Molecular Formula: C₈H₁₂O₂
• Molecular Weight: 140.1797
• Mol File: 5333-31-3.mol

Chemical Properties

• Boiling Point: 248.2°C at 760 mmHg
• Flash Point: 115.1°C
• Density: 1.078g/cm³
• Vapor Pressure: 0.00787mmHg at 25°C
• Refractive Index: 1.497
• CAS DataBase Reference: 4-methylcyclohex-1-ene-1-carboxylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 4-methylcyclohex-1-ene-1-carboxylic acid(5333-31-3)
• EPA Substance Registry System: 4-methylcyclohex-1-ene-1-carboxylic acid(5333-31-3)

Safety Data

• Hazardous Substances Data: 5333-31-3(Hazardous Substances Data)

Upstream product

• 13635-06-8 2-hydroxy-4-methyl-cyclohexanecarbonitrile 
• 859179-52-5 1-anilino-4-methyl-cyclohexanecarboxylic acid 
• 7664-93-9 sulfuric acid 
• 41248-15-1 1-hydroxy-4-methyl-cyclohexanecarboxylic acid 
• 91-22-5 quinoline 
• 31882-34-5 4-(4-methylcyclohexylidene)-2-phenyl-1,3-oxazol-5(4H)one 
• 872267-83-9 1-anilino-(4-methylcyclohexane)carbonitrile 
• 876474-29-2 1-anilino-4-methyl-cyclohexanecarboxylic acid amide 
• 589-92-4 1-methylcyclohexan-4-one 
• 793687-71-5 2-chloro-5-methyl-cyclohexanol 
• 712353-41-8 2-azido-4-methyl-cyclohexanecarboxylic acid ethyl ester 
• 18653-57-1 4-Methyl-3,4,5,6-tetrahydro-2H-pyran-2-ol 
• 1121-84-2 4-methyl-tetrahydro-pyran-2-one 
• 4457-71-0 3-methylpentane-1,5-diol 

Downstream Products

• 70905-07-6 4-Methylcyclohex-1-enecarboxylic acid ethyl ester 
• 4331-54-8 4-methylcyclohexanecarboxylic acid 
• 70905-09-8 2-bromo-4-methyl-cyclohexanecarboxylic acid 
• 99-94-5 p-Toluic acid 
• 712353-43-0 2-azido-4-methyl-cyclohexanecarboxylic acid chloride 
• 111055-02-8 4-methyl-1-cyclohexene-1-carbonyl chloride 

Relevant articles and documents

Chemo- A nd Regioselective Synthesis of Acyl-Cyclohexenes by a Tandem Acceptorless Dehydrogenation-[1,5]-Hydride Shift Cascade

An atom-economical methodology to access substituted acyl-cyclohexenes from pentamethylacetophenone and 1,5-diols is described. This process is catalyzed by an iridium(I) catalyst in conjunction with a bulky electron rich phosphine ligand (CataCXium A) which favors acceptorless dehydrogenation over conjugate reduction to the corresponding cyclohexane. The reaction produces water and hydrogen gas as the sole byproducts and a wide range of functionalized acyl-cyclohexene products can be synthesized using this method in very high yields. A series of control experiments were carried out, which revealed that the process is initiated by acceptorless dehydrogenation of the diol followed by a redox-neutral cascade process, which is independent of the iridium catalyst. Deuterium labeling studies established that the key step of this cascade involves a novel base-mediated [1,5]-hydride shift. The cyclohexenyl ketone products could readily be cleaved under mildly acidic conditions to access a range of valuable substituted cyclohexene derivatives.

COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS

The present invention provides novel compounds represented by formula (I) or pharmaceutically acceptable salts thereof useful for treating flaviviridae viral infection.

Preferential Oxygenation of 4-Cycloalkylideneoxazol-5(4H)-ones: Synthesis of N-Acylcycloalk-1-enecarboxamides

The addition of oxygen, in the presence of base, to 4-cycloalkylideneoxazol-5(4H)-ones led to new substituted N-acylcycloalkenecarboxamides in high yiedl, via base-catalysed isomerisation, oxygenation and subsequent fragmentation of a hydro- or endo-peroxide intermediate.