Production Method 1

63316-20-1

80438-66-0

Reaction Conditions

1.1 Reagents: Nitrous acid Catalysts: Hypophosphorous acid

Reference

Derivatives of m-di-tert-butylbenzene. Part VI. The preparation of miscellaneous halogenated compounds

De Koning, Adrianus Jan, Recueil: Journal of the Royal Netherlands Chemical Society, 1981, 100(11), 421-5

Production Method 2

1012-72-2

80438-66-0

Reaction Conditions

1.1 Reagents: Aluminum chloride Catalysts: Water Solvents: Carbon disulfide
2.1 Reagents: Silver nitrate Solvents: Acetic acid
2.2 Reagents: Bromine

Reference

2,4-Di-tert-butylbromobenzene by silver ion-assisted bromination of 1,3-di-tert-butylbenzene

Fry, Albert J.; et al, Organic Preparations and Procedures International, 1991, 23(4), 425-7

Production Method 3

22385-77-9

80438-66-0

Reaction Conditions

1.1 Reagents: 1,2-Dibromoethane Solvents: Tetrahydrofuran
2.1 Reagents: Bromine

Reference

Easy preparation of 1,3-di-tert-butylbenzene and some derivatives thereof

Komen, Corine M. D.; et al, Synthetic Communications, 1996, 26(9), 1693-7

Production Method 4

1014-60-4

80438-66-0

Reaction Conditions

1.1 Reagents: Bromine Solvents: Trimethyl phosphate ;  70 °C; 20 h, 70 °C

Reference

Atropisomerism in diarylamines: structural requirements and mechanisms of conformational interconversion

Costil, Romain; et al, Angewandte Chemie, 2020, 59(42), 18670-18678

Production Method 5

1014-60-4

80438-66-0

Reaction Conditions

1.1 Reagents: Silver nitrate Solvents: Acetic acid
1.2 Reagents: Bromine

Reference

2,4-Di-tert-butylbromobenzene by silver ion-assisted bromination of 1,3-di-tert-butylbenzene

Fry, Albert J.; et al, Organic Preparations and Procedures International, 1991, 23(4), 425-7

Production Method 6

1014-60-4

80438-66-0

Reaction Conditions

1.1 Reagents: Bromine

Reference

Easy preparation of 1,3-di-tert-butylbenzene and some derivatives thereof

Komen, Corine M. D.; et al, Synthetic Communications, 1996, 26(9), 1693-7

Production Method 7

34671-24-4

4371-77-1

80438-66-0

Reaction Conditions

1.1 Reagents: Benzyltriethylammonium chloride ,  Sodium hydroxide Solvents: Dichloromethane

Reference

Reactions of di- and tri-tert-butylcyclopentadienes with dihalocarbenes

Dehmlow, Eckehard V.; et al, Tetrahedron, 1995, 51(13), 3755-8

Production Method 8

1012-72-2

80438-66-0

Reaction Conditions

1.1 Reagents: Aluminum chloride ,  Water Solvents: Carbon disulfide
2.1 Reagents: Bromine Solvents: Trimethyl phosphate

Reference

Formation of persistent benzyl radicals by protonation of the radical anions of sterically hindered dithiobenzoic esters

Edler, Ronald; et al, Chemische Berichte, 1989, 122(1), 187-91

Production Method 9

1460-02-2

80438-66-0

Reaction Conditions

1.1 Reagents: Bromine Solvents: Carbon tetrachloride
2.1 Reagents: 1,2-Dibromoethane Solvents: Tetrahydrofuran
3.1 Reagents: Bromine

Reference

Easy preparation of 1,3-di-tert-butylbenzene and some derivatives thereof

Komen, Corine M. D.; et al, Synthetic Communications, 1996, 26(9), 1693-7

Production Method 10

63316-20-1

80438-66-0

117828-84-9

Reaction Conditions

1.1 Reagents: Isoamyl nitrite Solvents: Benzene

Reference

ESR of carboxylic acid esters. 12. Formation of 9-fluorenone radical anions during electroreduction of sterically hindered methyl biphenyl-2-dithiocarboxylates

Edler, Ronald; et al, Chemische Berichte, 1989, 122(5), 1009-12

Production Method 11

63316-20-1

80438-66-0

117828-84-9

Reaction Conditions

1.1 Reagents: Isoamyl nitrite Solvents: Benzene

Reference

Formation of persistent benzyl radicals by protonation of the radical anions of sterically hindered dithiobenzoic esters

Edler, Ronald; et al, Chemische Berichte, 1989, 122(1), 187-91

Production Method 12

80438-66-0

3972-65-4

7073-99-6

Reaction Conditions

1.1 Catalysts: o-Chloranil ,  Tricarbonyliodo[(1,2,3,4,5-η)-1,2,3,4-tetramethyl-5-(2-propen-1-yl)-2,4-cyclopen… Solvents: 1,2-Dichloroethane ;  40 min, rt
1.2 12 h, 80 °C

Reference

Synthesis and catalytic reactivity of mononuclear substituted tetramethylcyclopentadienyl molybdenum carbonyl complexes

Ma, Zhi-Hong; et al, Transition Metal Chemistry (Dordrecht, 2016, 41(2), 225-233

Benzene, 1-bromo-2,4-bis(1,1-dimethylethyl)- Raw materials

• 1,3-Di-tert-butylbenzene
• 1,4-Di-tert-butylbenzene
• 1,3-Cyclopentadiene, 1,4-bis(1,1-dimethylethyl)-
• 1-Bromo-3,5-di-tert-butylbenzene
• 1,3,5-Tri-tert-butylbenzene
• Benzenamine, 2-bromo-3,5-bis(1,1-dimethylethyl)-

Benzene, 1-bromo-2,4-bis(1,1-dimethylethyl)- Preparation Products

• 1,1'-Biphenyl, 2-bromo-3,5-bis(1,1-dimethylethyl)- (117828-84-9)
• 1-Bromo-4-tert-butylbenzene (3972-65-4)
• Benzene, 1-bromo-2,4-bis(1,1-dimethylethyl)- (80438-66-0)
• 1-Bromo-2-tert-butylbenzene (7073-99-6)

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Exploring Benzene, 1-bromo-2,4-bis(1,1-dimethylethyl)- (CAS No. 80438-66-0): Properties, Applications, and Market Insights

Benzene, 1-bromo-2,4-bis(1,1-dimethylethyl)- (CAS No. 80438-66-0) is a specialized aromatic compound with a unique molecular structure. This brominated benzene derivative features two bulky tert-butyl groups at the 2 and 4 positions, making it particularly interesting for various industrial and research applications. The presence of the bromine atom enhances its reactivity, allowing it to serve as a valuable intermediate in organic synthesis.

The compound's systematic name, 1-bromo-2,4-di-tert-butylbenzene, reflects its precise chemical configuration. With growing interest in specialty chemicals and high-performance materials, this compound has gained attention in multiple sectors. Researchers particularly value its sterically hindered structure, which can influence reaction pathways in catalytic processes and material science applications.

From a chemical properties perspective, Benzene, 1-bromo-2,4-bis(1,1-dimethylethyl)- exhibits typical aromatic characteristics while demonstrating enhanced stability due to the electron-donating tert-butyl groups. The bromine substituent makes it a versatile building block for further functionalization, answering the growing demand for customizable organic intermediates in pharmaceutical and material science research.

In the current market landscape, there's increasing interest in halogenated aromatic compounds for advanced material development. The compound's unique structure makes it potentially valuable for creating highly branched polymers or molecular scaffolds with specific spatial configurations. This aligns with recent trends in nanotechnology and supramolecular chemistry, where precise molecular architecture is crucial.

The synthesis of Benzene, 1-bromo-2,4-bis(1,1-dimethylethyl)- typically involves bromination of the corresponding di-tert-butylbenzene precursor. Process optimization for this compound has become a topic of interest, particularly regarding selective bromination techniques and green chemistry approaches to minimize environmental impact. These considerations respond to the chemical industry's growing emphasis on sustainable production methods.

Analytical characterization of this compound presents some unique challenges due to the steric effects of the tert-butyl groups. Advanced techniques like NMR spectroscopy and mass spectrometry are typically employed to confirm its structure and purity. The compound's physical properties, including its melting point and solubility characteristics, make it suitable for various solution-phase applications in research settings.

Looking at potential applications, Benzene, 1-bromo-2,4-bis(1,1-dimethylethyl)- shows promise in several cutting-edge fields. Its sterically hindered structure makes it interesting for developing molecular sensors or functional materials with specific recognition properties. The pharmaceutical industry may explore its derivatives as potential bioactive scaffolds, though any such applications would require extensive research and development.

From a commercial availability standpoint, CAS No. 80438-66-0 is typically supplied by specialty chemical manufacturers catering to research and development needs. The compound's niche applications mean it's often produced in smaller quantities compared to bulk chemicals, but with higher purity specifications. Current market trends show growing demand for such tailor-made intermediates in academic and industrial research laboratories.

Safety considerations for handling Benzene, 1-bromo-2,4-bis(1,1-dimethylethyl)- follow standard protocols for brominated aromatic compounds. While not classified among highly hazardous substances, proper laboratory safety measures should always be observed when working with this chemical. This includes using appropriate personal protective equipment and working in well-ventilated areas, reflecting the broader chemical industry's focus on responsible research practices.

Future research directions for this compound may explore its potential in advanced material synthesis or as a building block for functionalized nanostructures. The combination of aromaticity, bromine reactivity, and steric hindrance in one molecule creates numerous possibilities for innovative applications. As material science continues to advance, compounds like 1-bromo-2,4-di-tert-butylbenzene will likely find new roles in developing next-generation technologies.

For researchers and industry professionals seeking detailed technical information about Benzene, 1-bromo-2,4-bis(1,1-dimethylethyl)-, comprehensive data sheets are available from chemical suppliers. These typically include specifications regarding purity, analytical data, and recommended storage conditions. The compound's growing importance in specialized research areas ensures continued interest from both academic and industrial chemistry communities.

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