1-Bromo-4-tert-butylbenzene

CAS 3972-65-4(CH3)3CC6H4BrChemical Synthesis

1-Bromo-4-tert-butylbenzene (CAS: 3972-65-4) is an organic aryl halide with the molecular formula (CH3)3CC6H4Br and a molecular weight of 213.11 g/mol. This compound serves as a valuable building block in chemical synthesis. It is primarily utilized in the preparation of other complex organic molecules and intermediates, making it a key component for researchers and industrial chemists involved in organic synthesis and materials science.

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1-Bromo-4-tert-butylbenzene ((CH3)3CC6H4Br) — chemical structure, CAS 3972-65-4; Chemistry, fine chemical supplied by Tech Serve Solutions

ArylBuilding BlocksC9 to C12Chemical SynthesisHalogenated Hydrocarbons

01 /Applications

Synthesis of Boronic Acids

1-Bromo-4-tert-butylbenzene is employed in synthetic pathways to produce 4-tert-butyl-phenylboronic acid. This transformation is crucial for introducing the tert-butylphenyl moiety into various organic structures via cross-coupling reactions.

Intermediate in Pharmaceutical Research

The compound has been utilized in the synthesis of deoxy analogs of potent cannabinoid ligands such as CP-47,497 and CP-55,940. These studies contribute to the understanding of structure-activity relationships in medicinal chemistry.

Organic Building Block

As a halogenated hydrocarbon, it functions as a versatile building block in organic synthesis. Its structure allows for various functional group transformations and incorporation into larger molecular frameworks.

02 /Properties

Molecular weight	213.11
Linear formula	(CH3)3CC6H4Br
Assay	97%
Boiling point	80-81 °C/2 mmHg(lit.)
Density	1.229 g/mL at 25 °C(lit.)
Refractive index	n20/D 1.533(lit.)
Application	1-Bromo-4-tert-butylbenzene was used in the synthesis of 4-tert-butyl-phenylboronic acid1, 1-deoxy analogs of CP-47,497 (n = 0 to 7) and 1-deoxy analogs of CP-55,940 (n = 0 to 7)2.
Melting point	13-16 °C(lit.)

03 /Safety & handling

Protective equipment	Eyeshields, Gloves
Flash point	97 °C / 206.6 °F
Water hazard class (WGK, DE)	3

Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.

04 /Identifiers & registry

CAS number

3972-65-4

MDL number

MFCD00000108

PubChem substance

24855340

Beilstein registry

1859117

05 /Quality & supply

Documentation

Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.

Supply & logistics

Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.

06 /Frequently asked questions

What is 1-Bromo-4-tert-butylbenzene used for?

1-Bromo-4-tert-butylbenzene is used as a building block in chemical synthesis, particularly in the preparation of 4-tert-butyl-phenylboronic acid and deoxy analogs of CP-47,497 and CP-55,940.

What is the CAS number and formula for 1-Bromo-4-tert-butylbenzene?

The CAS number is 3972-65-4, and the linear formula is (CH3)3CC6H4Br.

What grade and purity does Tech Serve Solutions supply?

Tech Serve Solutions supplies 1-Bromo-4-tert-butylbenzene with an assay of 97%. This product is intended for research and laboratory use and is not represented as USP, BP, EP, or other pharmacopoeia grades.

What are the safety precautions for handling 1-Bromo-4-tert-butylbenzene?

Handle with appropriate personal protective equipment, including eyeshields and gloves. This compound has a flash point of 97 °C (206.6 °F) and is classified under WGK Germany 3.

How is 1-Bromo-4-tert-butylbenzene packed and shipped?

1-Bromo-4-tert-butylbenzene is carefully packed to ensure safe transit and is exported globally by Tech Serve Solutions, adhering to all relevant shipping regulations.