69393-31-3

Basic information

• Product Name: 3,3-Dimethylcyclopentanecarboxylic acid methyl ester
• Synonyms: 3,3-Dimethylcyclopentanecarboxylic acid methyl ester
• CAS NO: 69393-31-3
• Molecular Formula: C9H16O2
• Molecular Weight: 156.22
• Mol File: 69393-31-3.mol

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 3,3-Dimethylcyclopentanecarboxylic acid methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 3,3-Dimethylcyclopentanecarboxylic acid methyl ester(69393-31-3)
• EPA Substance Registry System: 3,3-Dimethylcyclopentanecarboxylic acid methyl ester(69393-31-3)

Safety Data

• Hazardous Substances Data: 69393-31-3(Hazardous Substances Data)

Upstream product

• 624-95-3 3,3-dimethylbutanol 
• 15672-88-5 neohexyliodide 
• 4255-62-3 4,4-dimethylcyclohexane-1-one 
• 62172-98-9 2-chloro-4,4-dimethyl-cyclohexanone 
• 124-41-4 sodium methylate 

Downstream Products

• 69393-30-2 3,3-Dimethylcyclopentyl-carbonsaeure 

Relevant articles and documents

Electrophilic Iron Catalyst Paired with a Lithium Cation Enables Selective Functionalization of Non-Activated Aliphatic C?H Bonds via Metallocarbene Intermediates

Combining an electrophilic iron complex [Fe(Fpda)(THF)]2 (3) [Fpda=N,N′-bis(pentafluorophenyl)-o-phenylenediamide] with the pre-activation of α-alkyl-substituted α-diazoesters reagents by LiAl(ORF)4 [ORF=(OC(CF3)3] provides unprecedented access to selective iron-catalyzed intramolecular functionalization of strong alkyl C(sp3)?H bonds. Reactions occur at 25 °C via α-alkyl-metallocarbene intermediates, and with activity/selectivity levels similar to those of rhodium carboxylate catalysts. Mechanistic investigations reveal a crucial role of the lithium cation in the rate-determining formation of the electrophilic iron-carbene intermediate, which then proceeds by concerted insertion into the C?H bond.