439099-03-3

Basic information

• Product Name: 3-methylbut-2-enyl cyclohexanecarboxylate
• Synonyms: 3-methylbut-2-enyl cyclohexanecarboxylate
• CAS NO: 439099-03-3
• Molecular Weight: 196.29
• Mol File: 439099-03-3.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 3-methylbut-2-enyl cyclohexanecarboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: 3-methylbut-2-enyl cyclohexanecarboxylate(439099-03-3)
• EPA Substance Registry System: 3-methylbut-2-enyl cyclohexanecarboxylate(439099-03-3)

Safety Data

• Hazardous Substances Data: 439099-03-3(Hazardous Substances Data)

Upstream product

• 110-82-7 cyclohexane 
• 201230-82-2 carbon monoxide 
• 556-82-1 3-methyl-2-buten-1-ol 
• 98-89-5 Cyclohexanecarboxylic acid 

Downstream Products

• 884195-45-3 1-[1-(1,1-dimethyl-allyl)-cyclohexyl]-but-3-en-1-ol 
• 884195-49-7 [1-(1,1-dimethyl-allyl)-cyclohexyl]-methanol 
• 884195-48-6 1-(1,1-dimethyl-allyl)-cyclohexanecarbaldehyde 
• 884195-47-5 1-(1,1-dimethyl-allyl)-cyclohexanecarboxylic acid methyl ester 
• 98-89-5 Cyclohexanecarboxylic acid 

Relevant articles and documents

Oxidative Alkane C?H Alkoxycarbonylation

Directly utilizing a chemical feedstock to construct valuable compounds is an attractive prospect in organic synthesis. In particular, the combination of C(sp3)?H activation and oxidative carbonylation involving alkanes and CO gas is a promising and efficient method to synthesize carbonyl derivatives. However, due to the high C?H bond dissociation energy and low polarity of unactivated alkanes, the carbonylation of unactivated C(sp3)?H bonds still remains a great challenge. In this work, we introduce a palladium-catalyzed radical oxidative alkoxycarbonylation of alkanes to prepare numerous alkyl carboxylates. Various alkanes and alcohols were compatible, generating the desired products in up to 94 % yield. Remarkably, ethane, a constituent of natural gas, could be employed as a substrate under the standard reaction conditions. Preliminary mechanistic studies revealed a probable palladium-catalyzed radical process.