54290-34-5

Basic information

• Product Name: Benzene, 1-methyl-3-(3-methylbutyl)-
• CAS NO: 54290-34-5
• Molecular Formula: C12H18
• Molecular Weight: 162.275
• Mol File: 54290-34-5.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Benzene, 1-methyl-3-(3-methylbutyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzene, 1-methyl-3-(3-methylbutyl)-(54290-34-5)
• EPA Substance Registry System: Benzene, 1-methyl-3-(3-methylbutyl)-(54290-34-5)

Safety Data

• Hazardous Substances Data: 54290-34-5(Hazardous Substances Data)

Upstream product

• 22884-29-3 isobutyltriphenylphosphonium bromide 
• 5674-02-2 2-methylpropylmagnesium chloride 
• 620-23-5 m-tolyl aldehyde 

Relevant articles and documents

Catalytic Intermolecular C(sp3)-H Amination: Selective Functionalization of Tertiary C-H Bonds vs Activated Benzylic C-H Bonds

A catalytic intermolecular amination of nonactivated tertiary C(sp3)-H bonds (BDE of 96 kcal·mol-1) is reported for substrates displaying an activated benzylic site (BDE of 85 kcal·mol-1). The tertiary C(sp3)-H bond is selectively functionalized to afford α,α,α-Trisubstituted amides in high yields. This unusual site-selectivity results from the synergistic combination of Rh2(S-Tfpttl)4, a rhodium(II) complex with a well-defined catalytic pocket, with tert-butylphenol sulfamate (TBPhsNH2), which leads to a discriminating rhodium-bound nitrene species under mild oxidative conditions. This catalytic system is very robust, and the reaction was performed on a 50 mmol scale with only 0.01 mol % of catalyst. The TBPhs group can be removed under mild conditions to afford the corresponding NH-free amines.