2,4,6-Trimethybromombenzene CAS 576-83-0

Introduction：Basic information about 2,4,6-Trimethybromombenzene CAS 576-83-0, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

2,4,6-Trimethybromombenzene Basic information

• Product Name: 2,4,6-Trimethybromombenzene
• Synonyms: 2,4,6-trimethybromombenzene;2,4,6-Trimethylphenyl bromide;2,4,6-TRIMETHYLBROMOBENZENE;2-BROMO-1,3,5-TRIMETHYLBENZENE;2-BROMOMESITYLENE;2-Bromomesifylene;1-bromo-2,4,6-trimethylbenzene;1-Bromomesitylene
• CAS: 576-83-0
• MF: C9H11Br
• MW: 199.09
• EINECS: 209-405-9
• Product Categories: Aromatic Hydrocarbons (substituted) & Derivatives
• Mol File: 576-83-0.mol

2,4,6-Trimethybromombenzene Chemical Properties

• Melting point: 2 °C(lit.)
• Boiling point: 225 °C(lit.)
• density: 1.301 g/mL at 25 °C(lit.)
• refractive index: n20/D 1.552(lit.)
• Fp: 205 °F
• storage temp.: Sealed in dry,Room Temperature
• form: Liquid
• color: Clear colorless to very slightly yellow
• Water Solubility: Insoluble in water(20°C) .
• Sensitive: Light Sensitive
• BRN: 1907245
• InChI: InChI=1S/C9H11Br/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,1-3H3
• InChIKey: RRTLQRYOJOSPEA-UHFFFAOYSA-N
• SMILES: C1(C)=CC(C)=CC(C)=C1Br
• CAS DataBase Reference: 576-83-0(CAS DataBase Reference)
• NIST Chemistry Reference: Benzene, 2-bromo-1,3,5-trimethyl-(576-83-0)
• EPA Substance Registry System: 2-Bromomesitylene (576-83-0)

Safety Information

• Hazard Codes: Xi
• Risk Statements: 36/37/38
• Safety Statements: 26-36-36/37/39-23
• WGK Germany: 3
• TSCA: TSCA listed
• HS Code: 29036990
• Storage Class: 10 - Combustible liquids
• Hazard Classifications: STOT SE 3

2,4,6-Trimethybromombenzene Usage And Synthesis

Chemical Properties

colorless liquid

Uses

2-Bromomesitylene is a useful synthetic intermediate, Aromatics, Boron Derivatives, Catalyst. It is an intermediate used to prepare Hydrogen[4-[bis(2,4,6-trimethylphenyl)phosphino]-2,3,5,6-tetrafluorophenyl]hydrobis(2,3,4,5,6-pentafluorophenyl)borate (H714510) which is a frustrated phosphonium borate for metal-free catalytic hydrogenation of imines.

Synthesis

108-67-8

576-83-0

The general procedure for the synthesis of 2-bromo-1,3,5-trimethylbenzene from 1,3,5-trimethylbenzene was as follows: N-bromosuccinimide (NBS, 1.0 mmol) and Catalyst 1 (0.1 or 1 mol% Au based on the substrate) were accurately weighed and added to 10 mL of a sealed reaction vessel, followed by 1,2-dichloroethane (DCE, 2 mL) and 1,3,5- trimethylbenzene (1.0 mmol). The reaction mixture was stirred at a set temperature for a specified time. Upon completion of the reaction, the catalyst was removed by separation using a magnet, followed by concentration of the reaction solution under reduced pressure and final purification by column chromatography to afford the target product 2-bromo-1,3,5-trimethylbenzene.

References

[1] Journal of Organic Chemistry, 1993, vol. 58, # 11, p. 3072 - 3075
[2] Tetrahedron, 2009, vol. 65, # 22, p. 4429 - 4439
[3] Angewandte Chemie - International Edition, 2010, vol. 49, # 11, p. 2028 - 2032
[4] Tetrahedron Letters, 2013, vol. 54, # 9, p. 1063 - 1066
[5] Synthesis, 2002, # 2, p. 169 - 171

2,4,6-Trimethybromombenzene Preparation Products And Raw materials

• Raw materials: Mesitylene-->N-Bromosuccinimide-->1,2-Dichloroethane-->1,3,5-TribroMo-2,4,6-TriMethyl-Benzene-->2,4-DIBROMOMESITYLENE
• Preparation Products: 2-METHOXY-3-PYRIDINECARBOXALDEHYDE-->3-METHOXY-PYRIDINE-2-CARBALDEHYDE-->Boron Standard Metal Solution-->3,4,5-TRIMETHYLBENZOIC ACID-->2,4,6-Trimethylbenzenesulfonic acid-->4-BROMO-3,5-DIMETHYL-BENZOIC ACID METHYL ESTER-->2,4,6-Trimethylbenzophenone-->1,3-BIS(2,4,6-TRIMETHYLPHENYL)-IMIDAZOLIDINIUM-CHLORIDE-->2-Bromo-benzene-1,3,5-tricarboxylic acid