129167-74-4

Basic information

• Product Name: 2-bromo-1-(tert-butyl)-4-methylbenzene
• Synonyms: 2-bromo-1-(tert-butyl)-4-methylbenzene
• CAS NO: 129167-74-4
• Molecular Weight: 227.144
• Mol File: 129167-74-4.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: 2-bromo-1-(tert-butyl)-4-methylbenzene(CAS DataBase Reference)
• NIST Chemistry Reference: 2-bromo-1-(tert-butyl)-4-methylbenzene(129167-74-4)
• EPA Substance Registry System: 2-bromo-1-(tert-butyl)-4-methylbenzene(129167-74-4)

Safety Data

• Hazardous Substances Data: 129167-74-4(Hazardous Substances Data)

Upstream product

• 98-51-1 4-tert-butyltoluene 
• 7726-95-6 bromine 
• 64-19-7 acetic acid 
• 103286-27-7 2-bromo-4-methylacetophenone 
• 544-97-8 dimethyl zinc(II) 
• 98-73-7 4-(1,1-dimethylethyl)benzoic acid 
• 129167-72-2 3-bromo-4-t-butylbenzyl alcohol 
• 14034-08-3 methyl 3-bromo-4-(tert-butyl)benzoate 
• 38473-89-1 3-bromo-4-(tert-butyl)benzoic acid 
• 129167-73-3 3-bromo-4-(tert-butyl)benzaldehyde 

Downstream Products

• 88-60-8 2-tert-Butyl-5-methylphenol 
• 98-51-1 4-tert-butyltoluene 
• 103391-77-1 3,4-di-t-butyltoluene 
• 129167-75-5 3,4-di-t-butylbenzoic acid 

Relevant articles and documents

Contrasting chemoselectivities in the ultrasound and microwave assisted bromination reactions of substituted alkylaromatics with N-bromosuccinimide

Ultrasound and microwave assisted bromination reactions of various alkylaryls with N-bromosuccinimide, either neat or in water, shows diverse chemoselectivity. Thus, ring substitution occurs in water with ultrasound, whereas with microwaves both side-chain α-bromination and ring substitution occur. With neat reactants, side-chain α-bromination predominates for microwave assisted reactions. In the presence of water the chemoselectivity with microwave-promoted bromination is similar to that observed using classical methods.

The Synthesis and Structure of 3,4-Di-t-butylbenzoic Acid

3,4-Di-t-butylbenzoic acid (1) was synthesized by a seven-step sequence from 4-t-butylbenzoic acid, and its structure was determined by X-ray diffraction and refined to a residual of 0.065 for 1403 independent observed reflections.The crystals are triclinic, P1, a 6.080(1), b 8.777(1), c 13.912(3) Angstroem, α 80.76(2), β 80.84(2), γ 75.62(2)deg.It is the only example of a simple ortho-di-t-butylbenzene whose structure has been determined.The benzene ring experiences some out-of-plane distortion but, in general, strain is relieved by in-plane bond stretching and angular distortions.