1-Bromo-2,4,6-tri-tert-butylbenzene
1-Bromo-2,4,6-tri-tert-butylbenzene (CAS: 3975-77-7) is a highly substituted aryl halide with the molecular formula [(CH3)3C]3C6H2Br. This bulky organic building block serves as a valuable intermediate in chemical synthesis. It is particularly employed in the preparation of specialized ligands and in investigating steric effects in organometallic compounds, contributing to advancements in catalysis and materials science.
- Synonyms
- 3975-77-7, [(CH3)3C]3C6H2Br
![1-Bromo-2,4,6-tri-tert-butylbenzene ([(CH3)3C]3C6H2Br) — chemical structure, CAS 3975-77-7; Chemistry, fine chemical supplied by Tech Serve Solutions](/_next/image?url=https%3A%2F%2Fpub-f4d920c906024441a773a96f7098e551.r2.dev%2Fimages%2Fproducts%2F3975-77-7.png&w=3840&q=75)
Synthesis of Bulky Biarylphosphine Ligands
1-Bromo-2,4,6-tri-tert-butylbenzene is used in the synthesis of sterically demanding biarylphosphine ligands. These ligands facilitate efficient palladium-catalyzed C-O cross-coupling reactions involving aryl halides and phenols under milder reaction conditions.
Investigating Steric Effects in Organometallics
This compound has been utilised to study the impact of increased steric bulk on the oligomerisation of dimethylindium(III) chalcogenolates. It helps researchers understand how steric hindrance influences the behaviour of organometallic species.
Organic Synthesis Intermediate
As a halogenated hydrocarbon and a functionalized aromatic compound, it acts as a key building block in complex organic synthesis pathways. Its structure allows for diverse chemical transformations.
| Molecular weight | 325.33 |
|---|---|
| Linear formula | [(CH3)3C]3C6H2Br |
| Assay | ≥97.0% (GC) |
| Grade | purum |
| Application | 1-Bromo-2,4,6-tri-tert-butylbenzene was used in the synthesis of bulky biarylphosphine ligand, which allows the Pd-catalyzed C-O cross-coupling of wide range of aryl halides and phenols under milder conditions1. It was used to investigate the effect on oligomerization of increased steric bulk in dimethylindium(III) chalcogenolates2. |
| Melting point | 168-173 °C(lit.)168-173 °C |
Hazard statements
- H315Causes skin irritation
- H319Causes serious eye irritation
- H335May cause respiratory irritation
Precautionary statements
- P261Avoid breathing dust, fume, gas or vapours
- P305IF IN EYES
| Protective equipment | dust mask type N95 (US), Eyeshields, Gloves |
|---|---|
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36 |
Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.
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.
What is 1-Bromo-2,4,6-tri-tert-butylbenzene used for?
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1-Bromo-2,4,6-tri-tert-butylbenzene is used as an intermediate in organic synthesis, notably for preparing bulky biarylphosphine ligands for catalysis and for investigating steric effects in organometallic compounds.
What are the CAS number and formula for 1-Bromo-2,4,6-tri-tert-butylbenzene?
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The CAS number is 3975-77-7, and the linear formula is [(CH3)3C]3C6H2Br.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies 1-Bromo-2,4,6-tri-tert-butylbenzene with a minimum assay of ≥97.0% (GC), denoted as purum grade. We do not represent this product as USP, BP, or EP grade.
How should 1-Bromo-2,4,6-tri-tert-butylbenzene be handled?
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Handling requires caution due to hazards including skin irritation (H315), eye irritation (H319), and respiratory irritation (H335). Recommended personal protective equipment includes a dust mask (type N95 US), eyeshields, and gloves. Ensure good ventilation and avoid breathing dust.
Is 1-Bromo-2,4,6-tri-tert-butylbenzene a controlled substance?
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The provided data does not indicate that 1-Bromo-2,4,6-tri-tert-butylbenzene is a controlled substance.
How is 1-Bromo-2,4,6-tri-tert-butylbenzene shipped and exported?
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Tech Serve Solutions is a specialist global supplier and exporter of fine chemicals and laboratory reagents, adhering to all necessary regulations for international shipment.
How can I request a sample or quote for 1-Bromo-2,4,6-tri-tert-butylbenzene?
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Please contact our sales team via the website or your usual contact person to request a sample or a quotation for 1-Bromo-2,4,6-tri-tert-butylbenzene.
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