80438-66-0

Basic information

• Product Name: 1-bromo-2,4-di-tert-butylbenzene
• Synonyms: 1-bromo-2,4-di-tert-butylbenzene
• CAS NO: 80438-66-0
• Molecular Weight: 269.225
• Mol File: 80438-66-0.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: 1-bromo-2,4-di-tert-butylbenzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1-bromo-2,4-di-tert-butylbenzene(80438-66-0)
• EPA Substance Registry System: 1-bromo-2,4-di-tert-butylbenzene(80438-66-0)

Safety Data

• Hazardous Substances Data: 80438-66-0(Hazardous Substances Data)

Usage

Structure

A derivative of benzene with two tert-butyl groups and a bromine atom attached to the benzene ring.

Physical state

Colorless or pale yellow liquid.

Solubility

Insoluble in water, soluble in most organic solvents.

Synthetic intermediate

In the production of pharmaceuticals, agrochemicals, and other specialty chemicals.

Reagent

In organic chemical reactions, such as in the synthesis of complex organic molecules.

Starting material

For the preparation of various biologically active compounds due to its unique structural features.

Commercial applications

Limited direct commercial applications, but plays a crucial role in the synthesis of more complex compounds in the pharmaceutical and agrochemical industries.

Upstream product

• 75-25-2 Bromoform 
• 125735-41-3 1,3,5-tris(1,1-dimethylethyl)cyclopentadiene 
• 73046-16-9 1,3-di-tert-butylcyclopentadiene 
• 63316-20-1 1-Amino-2-brom-3,5-di-tert-butylbenzol 
• 71-43-2 benzene 

Downstream Products

• 19715-24-3 Bis-<2,4-di-tert.butyl-phenyl>-disulfid 
• 117828-85-0 2,4-Di-tert-butyldithiobenzoesaeure-methylester 
• 19728-43-9 2,4-di-tert-butylbenzenethiol 

Relevant articles and documents

REACTIONS OF DI- AND TRI-TERT-BUTYLCYCLOPENTADIENES WITH DIHALOCARBENES

Dihalocarbene additions to mixed 1,3- and 1,4-di-tert-butylcyclopentadienes (1, 3) allow to prepare 1,3-di-tert-butyl-4-halobenzenes (9) in an efficient way.Only the 3,4 double bond is attacked regiospecifically in 1,3,5-tri-tert-butylcyclopentadiene (11) (and also in 1).Totally unexpected main products from 11 are compounds 9 again being formed under fragmentation of a tert-butyl group.Only small amounts of 1,2,4-tri-tert-butyl-5-halobenzenes (13, X=Cl, Br) are obtained from 11.A labile primary dichlorocarbene adduct to 11 (12a) can be isolated.Its thermal decomposition occurs with the loss of one tert-butyl group to yield 9a.Base catalyzed degradation of 12a gives 9a and 13a as by-product.

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

The preparation of seven series of dihalogenated and monohalogenated derivatives of m-di-tert-butylbenzene, comprising twenty three new compounds, is described.