114837-96-6

Basic information

• Product Name: 2,5-Cyclohexadiene-1-carboxylic acid, 1-(3-methyl-3-butenyl)-3-(methylthio)-
• CAS NO: 114837-96-6
• Molecular Formula: C13H18O2S
• Molecular Weight: 238.351
• Mol File: 114837-96-6.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 2,5-Cyclohexadiene-1-carboxylic acid, 1-(3-methyl-3-butenyl)-3-(methylthio)-(CAS DataBase Reference)
• NIST Chemistry Reference: 2,5-Cyclohexadiene-1-carboxylic acid, 1-(3-methyl-3-butenyl)-3-(methylthio)-(114837-96-6)
• EPA Substance Registry System: 2,5-Cyclohexadiene-1-carboxylic acid, 1-(3-methyl-3-butenyl)-3-(methylthio)-(114837-96-6)

Safety Data

• Hazardous Substances Data: 114837-96-6(Hazardous Substances Data)

Upstream product

• 53750-52-0 4-iodo-2-methyl-but-1-ene 
• 825-99-0 3-methylsulfanyl-benzoic acid 

Relevant articles and documents

Observations Regarding the Regiochemical and Stereochemical Course of the Cyclization of Complex 5-Hexenyl Radicals: An Approach to Perhydronaphthalenes

Iodo lactones 4 and 5 were prepared from m-anisic acid (10) and m-(isopropylthio)benzoic acid (15), respectively, by using a reductive alkylation-haloctonization-free radical cyclization sequence.Enones 6-9 were prepared from benzoic acid by way of acid chloride 30 by using a palladium-catalyzed coupling reaction.Tri n-butyltin hydride mediated cyclization of 4-7 and 9 afforded substituted perhydronaphthalenes with good stereoselectivity.The radical derived from enone 8 gave perhydroindan 40.A transition-state geometry for the cyclization of enones 6-9 is proposed.