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3-bromo-2,4,6-trimethylbenzoic acid is a chemical compound characterized by the molecular formula C10H11BrO2. It is a benzoic acid derivative featuring a bromine atom and three methyl groups attached to the benzene ring. 3-bromo-2,4,6-trimethylbenzoic acid is recognized for its versatile reactivity and potential in the creation of innovative molecules, making it a significant building block for the development of new drugs, agrochemicals, and other significant organic compounds. Its distinctive structure and properties also lend it potential applications in materials science, where it can act as a precursor for the synthesis of various advanced materials.

5333-13-1

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5333-13-1 Usage

Uses

Used in Organic Synthesis:
3-bromo-2,4,6-trimethylbenzoic acid is utilized as a key intermediate in organic synthesis for its ability to participate in a range of chemical reactions, facilitating the creation of diverse organic compounds.
Used in Pharmaceutical Research:
In pharmaceutical research, 3-bromo-2,4,6-trimethylbenzoic acid is employed as a starting material or a building block for the development of new drugs, leveraging its unique structure to explore novel therapeutic agents.
Used in Agrochemical Development:
3-bromo-2,4,6-trimethylbenzoic acid is used as a chemical precursor in the design and synthesis of new agrochemicals, potentially leading to the discovery of more effective and environmentally friendly pesticides or herbicides.
Used in Materials Science:
In the field of materials science, 3-bromo-2,4,6-trimethylbenzoic acid is used as a precursor for the synthesis of advanced materials, contributing to the development of new materials with improved properties for various applications.

Check Digit Verification of cas no

The CAS Registry Mumber 5333-13-1 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,3,3 and 3 respectively; the second part has 2 digits, 1 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 5333-13:
(6*5)+(5*3)+(4*3)+(3*3)+(2*1)+(1*3)=71
71 % 10 = 1
So 5333-13-1 is a valid CAS Registry Number.

5333-13-1SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-bromo-2,4,6-trimethylbenzoic acid

1.2 Other means of identification

Product number -
Other names 3-bromo-2,4,6-trimethyl-benzoic acid

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:5333-13-1 SDS

5333-13-1Relevant academic research and scientific papers

Method for synthesizing hexamethyl terphenyl dimethyl ester

-

Paragraph 0031-0037, (2019/01/22)

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.

Bromination of arenes using I2O5-KBr in water

Hou, Jieping,Li, Zejiang,Jia, Xiao-Dong,Liu, Zhong-Quan

supporting information, p. 181 - 187 (2013/12/04)

An efficient and environmentally benign bromination of various aromatic compounds using aN aqueous I2O5-KBr system at room temperature has been developed in this work. A series of aromatic compounds such as acetophenones, benzaldehydes, benzoic acids, anilines, amides, and aminopyridine have been successfully brominated in excellent regioselectivities and good yields under the typical reaction conditions. The features of KBr as brominating reagent, water as solvent, and mild conditions make this system an attractive synthetic procedure. [Supplementary materials are available for this article. Go to the publisher's online edition of Synthetic Communications for the following free supplemental resource(s): Full experimental and spectral details.]

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

Cuyegkeng, Maria Assunta,Mannschreck, Albrecht

, p. 803 - 810 (2007/10/02)

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.

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