3972-64-3

Basic information

• Product Name: 1-BROMO-3-TERT-BUTYLBENZENE
• Synonyms: 1-Bromo-3-(1,1-dimethylethyl)benzene;benzene,1-bromo-3-(1,1-dimethylethyl)-;benzene,1-bromo-3-tert-butyl-;1-BROMO-3-TERT-BUTYLBENZENE 98%;3-(tert-Butyl)bromobenzene 99%
• CAS NO: 3972-64-3
• Molecular Formula: C₁₀H₁₃Br
• Molecular Weight: 213.11422
• Product Categories: Halides;Phenyls & Phenyl-Het;Phenyls & Phenyl-Het
• Mol File: 3972-64-3.mol
• Article Data: 10

Chemical Properties

• Boiling Point: 95-97°C
• Flash Point: 81.1 °C
• Appearance: /
• Density: 1.237 g/cm³
• Vapor Pressure: 0.253mmHg at 25°C
• Refractive Index: 1.519
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 1-BROMO-3-TERT-BUTYLBENZENE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-BROMO-3-TERT-BUTYLBENZENE(3972-64-3)
• EPA Substance Registry System: 1-BROMO-3-TERT-BUTYLBENZENE(3972-64-3)

Safety Data

• Hazard Codes: C
• Hazardous Substances Data: 3972-64-3(Hazardous Substances Data)

Usage

General Description

1-Bromo-3-tert-butylbenzene is an organic chemical compound with the molecular formula C10H13Br. It is a colorless to pale yellow liquid with a pungent odor, and it is commonly used as a reagent in organic synthesis, particularly in the production of pharmaceuticals and agrochemicals. 1-Bromo-3-tert-butylbenzene is a brominated derivative of tert-butylbenzene, and its main application is as an intermediate in the synthesis of various organic compounds. It is important to handle and store 1-Bromo-3-tert-butylbenzene with care, as it is flammable and may cause irritation to the skin, eyes, and respiratory system upon contact. Additionally, it is important to follow proper handling and safety protocols when working with this compound to avoid any potential health hazards.

InChI:InChI=1/C10H13Br/c1-10(2,3)8-5-4-6-9(11)7-8/h4-7H,1-3H3

Upstream product

• 103273-01-4 2-bromo-4-tert-butylaniline 
• 253185-03-4 tert-butylbenzene 
• 41937-72-8 2-(3-bromophenyl)-2-chloropropane 
• 75-24-1 trimethylaluminum 
• 769-92-6 4-tert-Butylaniline 
• 7601-90-3 perchloric acid 
• 7726-95-6 bromine 
• 64-19-7 acetic acid 
• 1012-72-2 1,4-di-tert-butylbenzene 
• 585-34-2 3-tert-butylphenyol 
• 90944-47-1 2-bromo-4-tert-butyl-aniline; hydrochloride 
• 91801-97-7 N-(2-bromo-4-tert-butylphenyl)acetamide 
• 20330-45-4 4-tert-butylacetanilide 

Downstream Products

• 31603-96-0 3-tert.-Butyloxy-1-tert.-butyl-benzol 
• 88315-69-9 Ethyl 3-tert-Butylphenyl Sulfide 
• 906065-60-9 3-tert-butyl-N-(3-methoxyphenyl)thiobenzamide 
• 99177-40-9 2-bromo-4-tert-butyl-benzenesulfonic acid amide 
• 101292-01-7 (2-bromo-4-tert-butyl-phenyl)-phenyl sulfone 
• 101595-57-7 2-benzenesulfonyl-5-tert-butyl-benzoic acid 
• 7498-54-6 3-t-Butylbenzoic acid 
• 861858-79-9 (cis/trans)-1-(3-tert-butyl-phenyl)-4-methyl-cyclohexanecarboxylic acid methyl ester 
• 861858-87-9 (cis/trans)-1-(3-tert-butyl-phenyl)-3-methyl-cyclohexanecarboxylic acid 2-trimethylsilanyl-ethyl ester 
• 861858-94-8 (cis/trans)-1-(3-tert-butyl-phenyl)-2-methyl-cyclohexanecarboxylic acid 2-trimethylsilanyl-ethyl ester 
• 861857-67-2 1-benzyl-4-(3-tert-butylphenyl)-piperidin-4-ol 
• 861859-51-0 1-(3-tert-butyl-phenyl)-4-methylene-cyclohexanol 
• 1206770-85-5 3-(3-tert-butyl-phenyl)-1H-pyridin-2-one 
• 1428941-79-0 3-(3-t-butylphenyl)-2-methoxypyridine 

Relevant articles and documents

Diarylamines with the Neighboring Pyridyl Group: Synthesis and Modulation of the Amine Functionality via Intramolecular H-Bonding

New pyridyl-containing diarylamines were obtained via Cuassisted reductive amination of the ortho-2-pyridylarylboronic acids. Comparative analysis of the spectral and electrochemical data obtained for new diarylamines and their pyridyl-free counterparts revealed the intramolecular H-bond (IMHB) formation which significantly influences the properties of the amino group. The electron density at the N atom of the amino group is increased due to partial weakening of the N-H bond, although the BDE and activation energy for the H-atom abstraction is increased due to the chelating effect of two N atoms. The orthopyridyl-containing diarylamines are more prone to be oxidized as compared to their pyridyl-free counterparts; the shift in the oxidation potential values correlates with the strength of the intramolecular Hbonding which can be tuned by inserting substituents in the pyridyl or phenyl rings. The IMHB is reserved even in polar solvents having a significant H-acceptor ability (such as DMSO) but can be destroyed in methanol, testifying in favor of the dynamic nature of the H-bonding.

Access to "friedel-Crafts-Restricted" tert -alkyl aromatics by activation/methylation of tertiary benzylic alcohols

Herein we describe a two-step protocol to prepare m-tert-alkylbenzenes. The appropriate tertiary benzylic alcohols are activated with SOCl2 or concentrated HCl and then treated with trimethylaluminum, affording the desired products in 68-97% yields (22 examples). This reaction sequence is successful in the presence of a variety of functional groups, including acid-sensitive and Lewis-basic groups. In addition to t-Bu groups, 1,1-dimethylpropyl and 1-ethyl-1-methylpropyl groups can also be installed using this method.

Efficient new approach for the synthesis of N,N-dialkylamino-1,2,4-triazoles

A series of 3-NN-dialkylamino-4,5-diaryl-1,2,4-triazoles were synthesized in high yield under mild reaction conditions by coupling functionalized arylmagnesiums with isothiocyanates and cyclization with Viehe's salts. No selective thionation reaction was