109337-18-0

Basic information

• Product Name: toluene-4-sulfonic acid-(α,α-dideuterio-benzyl ester)
• CAS NO: 109337-18-0
• Molecular Weight: 264.313
• Mol File: 109337-18-0.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: toluene-4-sulfonic acid-(α,α-dideuterio-benzyl ester)(CAS DataBase Reference)
• NIST Chemistry Reference: toluene-4-sulfonic acid-(α,α-dideuterio-benzyl ester)(109337-18-0)
• EPA Substance Registry System: toluene-4-sulfonic acid-(α,α-dideuterio-benzyl ester)(109337-18-0)

Safety Data

• Hazardous Substances Data: 109337-18-0(Hazardous Substances Data)

Upstream product

• 21175-64-4 1,1-dideuteriophenylmethanol 
• 98-59-9 p-toluenesulfonyl chloride 
• 93-89-0 benzoic acid ethyl ester 

Relevant articles and documents

Substituent Effects on Transition-state Structures for Dissociative and Associative SN2 Reactions

α-Deuterium secondary kinetic isotope effects (KIEs) have been investigated for the reactions of anilines with benzyl, methyl and ethyl benzenesulfonates involving deuteriated aniline nucleophiles and substrates.The secondary KIEs observed are normal, kH/kD > 1.0, only for the deuteriated benzyl system and are of an inverse type, kH/kD N2 mechanism), in contrast to the reverse trend, i.e., the strain incurred by bond formation of the nucleophile is greater than the relief of steric congestion by bond breaking of the leaving group in the reactions of alkyl compounds (associative SN2 mechanism).The effects of substituents in the nucleophile (X) and leaving group (Z) on the secondary KIEs are in complete agreement with the transition-state variation predicted by the sign and magnitude of the cross-interaction constant, ρxz.