1262155-53-2

Basic information

• Product Name: C₂₁H₁₈F₃NO₃S
• CAS NO: 1262155-53-2
• Molecular Weight: 421.44
• Mol File: 1262155-53-2.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: C₂₁H₁₈F₃NO₃S(CAS DataBase Reference)
• NIST Chemistry Reference: C₂₁H₁₈F₃NO₃S(1262155-53-2)
• EPA Substance Registry System: C₂₁H₁₈F₃NO₃S(1262155-53-2)

Safety Data

• Hazardous Substances Data: 1262155-53-2(Hazardous Substances Data)

Upstream product

• 57132-21-5 3-p-trifluoromethylphenyl-2-butanone 
• 1309380-78-6 3-(p-trifloromethylphenyl)-2-butanone oxime 
• 93-11-8 2-Naphthalenesulfonyl chloride 

Downstream Products

• 1737-26-4 1-(4-trifluorophenyl)ethanol 

Relevant articles and documents

Dynamic path bifurcation in the Beckmann reaction: Support from kinetic analyses

The reactions of oximes to amides, known as the Beckmann rearrangement, may undergo fragmentation to form carbocations + nitriles when the migrating groups have reasonable stability as cations. The reactions of oxime sulfonates of 1-substituted-phenyl-2-propanone derivatives (7-X) and related substrates (8-X, 9a-X) in aqueous CH3CN gave both rearrangement products (amides) and fragmentation products (alcohols), the ratio of which depends on the system; the reactions of 7-X gave amides predominantly, whereas 9a-X yielded alcohols as the major product. The logk-logk plots between the systems gave excellent linear correlations with slopes of near unity. The results support the occurrence of path bifurcation after the rate-determining TS of the Beckmann rearrangement/fragmentation reaction, which has previously been proposed on the basis of molecular dynamics simulations. It was concluded that path-bifurcation phenomenon could be more common than thought and that a reactivity-selectivity argument based on the traditional TS theory may not always be applicable even to a well-known textbook organic reaction.