407097

1-Bromo-2,4,6-tri-tert-butylbenzene

97%

• Linear Formula: [(CH₃)₃C]₃C₆H₂Br
• CAS Number: 3975-77-7
• Molecular Weight: 325.33
• Beilstein: 1913257
• MDL number: MFCD00191861
• UNSPSC Code: 12352100
• PubChem Substance ID: 24865424
• NACRES: NA.22

Properties

• Assay: 97%
• mp: 168-173 °C (lit.)
• functional group: bromo
• SMILES string: CC(C)(C)c1cc(c(Br)c(c1)C(C)(C)C)C(C)(C)C
• InChI: 1S/C18H29Br/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11H,1-9H3
• InChI key: JOKZWHPYNRDCOA-UHFFFAOYSA-N

Description

General description

1-Bromo-2,4,6-tri-tert-butylbenzene (2,4,6-tri-tert-butylbromobenzene) is a hindered aryl bromide. 1-Bromo-2,4,6-tri-tert-butylbenzene on reaction with phenylboronic acid yields α,α-dimethyl-β-phenyl hydrostyrene.

Application

1-Bromo-2,4,6-tri-tert-butylbenzene was used in the synthesis of bulky biarylphosphine ligand. This ligand was reported to participate in the Pd-catalyzed C-O cross-coupling of a wide range of aryl halides and phenols under milder conditions. It was used to investigate the effect on oligomerization of increased steric bulk in dimethylindium(III) chalcogenolates. It may be used to form α,α-dimethyl-β-phenyl hydrostyrene by reacting with phenylboronic acid.

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H315,H319,H335
• Precautionary Statements: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves