5333-13-1

Basic information

• Product Name: 3-bromo-2,4,6-trimethylbenzoic acid
• CAS NO: 5333-13-1
• Molecular Formula: C₁₀H₁₁BrO₂
• Molecular Weight: 243.0971
• Mol File: 5333-13-1.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 349.1°C at 760 mmHg
• Flash Point: 164.9°C
• Density: 1.455g/cm³
• Vapor Pressure: 1.81E-05mmHg at 25°C
• Refractive Index: 1.577
• CAS DataBase Reference: 3-bromo-2,4,6-trimethylbenzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3-bromo-2,4,6-trimethylbenzoic acid(5333-13-1)
• EPA Substance Registry System: 3-bromo-2,4,6-trimethylbenzoic acid(5333-13-1)

Safety Data

• Hazardous Substances Data: 5333-13-1(Hazardous Substances Data)

Usage

General Description

3-bromo-2,4,6-trimethylbenzoic acid is a chemical compound with the molecular formula C10H11BrO2. It is a derivative of benzoic acid, with three methyl groups and a bromine atom attached to the benzene ring. 3-bromo-2,4,6-trimethylbenzoic acid is commonly used in organic synthesis and pharmaceutical research due to its diverse reactivity and potential for creating novel molecules. Its unique structure and properties make it a valuable building block for the development of new drugs, agrochemicals, and other important organic compounds. Additionally, 3-bromo-2,4,6-trimethylbenzoic acid has potential applications in the field of materials science and can serve as a precursor for the synthesis of various advanced materials.

Upstream product

• 854652-04-3 1-phenyl-3-(3-bromo-2.4.6-trimethyl-phenyl)-propanedione-(1.2) 
• 7722-84-1 dihydrogen peroxide 
• 855174-40-2 2-hydroxy-1-phenyl-3-(3-bromo-2.4.6-trimethyl-phenyl)-propen-⁽²⁾-one-⁽¹⁾ 
• 480-63-7 mesitylenecarboxylic acid 
• 56-23-5 tetrachloromethane 
• 7726-95-6 bromine 

Downstream Products

• 26584-20-3 methyl 3-bromo-2,4,6-trimethyl-benzoate 
• 1597532-47-2 C₂₈H₃₀O₄ 
• 857610-63-0 1-(3-bromo-2,4,6-trimethyl-phenyl)-2-mesityl-propenone 
• 860537-72-0 3-bromo-2,4,6,2',4',6'-hexamethyl-deoxybenzoin 
• 106567-24-2 3-Bromo-2,4,6,N,N-pentamethyl-benzamide 
• 106567-42-4 3-Bromo-2,4,6,N,N-pentamethyl-benzamide 
• 106567-13-9 3-Bromo-2,4,6,N,N-pentamethyl-benzamide 
• 99058-07-8 dibromomesitoic acid 

Relevant articles and documents

Method for synthesizing hexamethyl terphenyl dimethyl ester

The invention relates to a method for synthesizing hexamethyl terphenyl dimethyl ester. The method comprises the following steps: S1: in an inert atmosphere, at a temperature of -40 DEG C to -50 DEG Cand in the existence of a nucleophilic reagent, the 2,4,6-trimethylbenzoate with meta-position substituted by monohalogen is reacted with trialkyl borate in a first organic solvent or 3 to 5 hours toobtain 3-boric acid-2, 4, 6-methyl trimethyl benzoate; and S2: in an inert atmosphere and under reflux conditions, 3-boric acid-2,4,6-trimethylbenzoic acid methyl ester is reacted with benzene with para-position substituted by subhalogen, inorganic base and a catalyst in a second organic solvent for 16 to 19 hours, and hexamethyl terphenyl dimethyl ester can be obtained. The synthetic method hasthe beneficial effects that the p-dibromobenzene which is inexpensive and readily available is used as a raw material to synthesize hexamethyl terphenyl dimethyl ester, so that the cost is significantly reduced.

Chromatographic Separation of Enantiomers and Barriers to Enantiomerization of Axially Chiral Aromatic Carboxamides

The enantiomers (M) and (P) of a series of similar aromatic carboxamides have been, for the first time, investigated analytically and enriched preparatively by liquid chromatography on triacetylcellulose.Enantiomeric purities (7-99percent), specific rotations, and barriers to rotation about the C(sp2)-C(sp2) bond (87 - 120 kJ/mol, Table 5) were determined.These energies are discussed in terms of the size of ortho substituents and of the buttressing effects by meta substituents.