3,5-Di-tert-butylbenzyl bromide

CAS 62938-08-3[(CH3)3C]2C6H3CH2BrChemical Synthesis

3,5-Di-tert-butylbenzyl bromide (CAS: 62938-08-3), with the linear formula [(CH3)3C]2C6H3CH2Br and a molecular weight of 283.25 g/mol, is a valuable aryl building block. This halogenated hydrocarbon serves as a key reactant in various organic synthesis applications. It is employed in chemoselective trifluoromethylation, aralkylation reactions, coupling with terminal alkynes, and the synthesis of fluorescent dyes and biologically active molecules such as steroid sulfatase inhibitors.

IUPAC: 1-(Bromomethyl)-3,5-bis(1,1-dimethylethyl)benzene,1-Bromomethyl-3,5-di-tert-butylbenzene,a-Bromo-3,5-di-tert-butyltoluene
Synonyms: 1-(Bromomethyl)-3,5-bis(1,1-dimethylethyl)benzene1-Bromomethyl-3,5-di-tert-butylbenzenea-Bromo-3,5-di-tert-butyltoluene

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3,5-Di-tert-butylbenzyl bromide ([(CH3)3C]2C6H3CH2Br) — chemical structure, CAS 62938-08-3; Chemistry, fine chemical supplied by Tech Serve Solutions

ArylBuilding BlocksC13 to C37+Chemical SynthesisHalogenated Hydrocarbons

01 /Applications

Chemoselective Trifluoromethylation

This compound acts as a reactant in processes for chemoselective trifluoromethylation, a crucial transformation in organic synthesis for introducing trifluoromethyl groups.

Aralkylation Reactions

It participates in aralkylation reactions, specifically demonstrated in the aralkylation of 2-N-acetylguanine, forming new carbon-carbon bonds.

Coupling Reactions

3,5-Di-tert-butylbenzyl bromide is utilised in coupling reactions, including those with terminal alkynes, to construct more complex molecular architectures.

Synthesis of Fluorescent Dyes

The compound is a precursor in the synthesis of near-infrared solid-state fluorescent naphthooxazine dyes, contributing to the development of advanced materials.

Biologically Active Molecule Synthesis

It is involved in the synthesis of biologically relevant molecules, such as steroid sulfatase inhibitors and short cationic antimicrobial peptides.

02 /Properties

Molecular weight	283.25
Linear formula	[(CH3)3C]2C6H3CH2Br
Assay	97%
Application	Reactant involved in:• Chemoselective trifluoromethylation1• Aralkylation of 2-N-acetylguanine2• Coupling reactions with terminal alkynes3• Synthesis of near-IR solid-state fluorescent naphthooxazine dyes4Reactant involved in synthesis of biologically active molecules including:• Steroid sulfatase inhibitors5• Short cationic antimicrobial peptides6

03 /Safety & handling

GHS hazard pictogram: Corrosive (GHS05) — Corrosive

Danger

Hazard statements

H314Causes severe skin burns and eye damage

Precautionary statements

P280Wear protective gloves, clothing and eye/face protection
P305IF IN EYES
P310Immediately call a POISON CENTER or doctor

Protective equipment	Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
Transport (UN / ADR)	UN 3261 8 / PGII
Water hazard class (WGK, DE)	3
Hazard codes (EU)	C
Risk statements (R)	34
Safety statements (S)	26-36/37/39-45

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

04 /Identifiers & registry

CAS number

62938-08-3

MDL number

MFCD03701623

PubChem substance

24874742

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 3,5-Di-tert-butylbenzyl bromide used for?

3,5-Di-tert-butylbenzyl bromide is used as a reactant in organic synthesis for applications including chemoselective trifluoromethylation, aralkylation of 2-N-acetylguanine, coupling reactions with terminal alkynes, and the synthesis of fluorescent dyes and biologically active molecules.

What are the CAS number and formula for 3,5-Di-tert-butylbenzyl bromide?

The CAS number for 3,5-Di-tert-butylbenzyl bromide is 62938-08-3 and its linear formula is [(CH3)3C]2C6H3CH2Br.

What grade and purity does Tech Serve Solutions supply?

Tech Serve Solutions supplies 3,5-Di-tert-butylbenzyl bromide with a minimum assay of 97%. This product is supplied for research and chemical synthesis purposes and is not represented as USP, BP, EP, or other pharmacopoeial grades.

How should 3,5-Di-tert-butylbenzyl bromide be handled safely?

3,5-Di-tert-butylbenzyl bromide is classified as Danger with hazard statement H314, indicating it causes severe skin burns and eye damage. Appropriate personal protective equipment including eyeshields, face shields, gloves, and suitable respiratory protection (e.g., N100 or P3 filters) must be used. Handle in a well-ventilated area and follow all safety precautions. Refer to the Safety Data Sheet for detailed handling procedures.

How is 3,5-Di-tert-butylbenzyl bromide packed and shipped?

3,5-Di-tert-butylbenzyl bromide is packed and shipped in compliance with international regulations for hazardous materials. It is classified under UN 3261, Hazard Class 8, Packing Group II. TSS offers global export services.

How can I request a quote or sample?

To request a quote or a sample of 3,5-Di-tert-butylbenzyl bromide, please contact our sales team through the website or by phone. Our experts will be happy to assist you with your inquiry.