2604-45-7

Basic information

• Product Name: 2 3 5 6-TETRAMETHYLBENZOIC ACID 98
• Synonyms: 2,3,5,6-tetramethyl-benzoicaci;Benzoic acid, 2,3,5,6-tetramethyl-;2 3 5 6-TETRAMETHYLBENZOIC ACID 98;2,3,5,6-tetramethylbenzoic acid(SALTDATA: FREE)
• CAS NO: 2604-45-7
• Molecular Formula: C₁₁H₁₄O₂
• Molecular Weight: 178.22766
• EINECS: 220-015-8
• Product Categories: C11 to C12;Carbonyl Compounds;Carboxylic Acids;Building Blocks;C11 to C12;Carbonyl Compounds;Carboxylic Acids;Chemical Synthesis;Organic Building Blocks
• Mol File: 2604-45-7.mol

Chemical Properties

• Melting Point: 178-181 °C(lit.)
• Boiling Point: 310°Cat760mmHg
• Flash Point: 145.5°C
• Appearance: /
• Density: 1.066g/cm³
• Vapor Pressure: 0.000266mmHg at 25°C
• Refractive Index: 1.54
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 3.74±0.32(Predicted)
• CAS DataBase Reference: 2 3 5 6-TETRAMETHYLBENZOIC ACID 98(CAS DataBase Reference)
• NIST Chemistry Reference: 2 3 5 6-TETRAMETHYLBENZOIC ACID 98(2604-45-7)
• EPA Substance Registry System: 2 3 5 6-TETRAMETHYLBENZOIC ACID 98(2604-45-7)

Safety Data

• WGK Germany: 3
• RTECS: DH6835100
• Hazardous Substances Data: 2604-45-7(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
2,3,5,6-Tetramethylbenzoic acid 98 is used as a key intermediate in the synthesis of various pharmaceuticals. Its unique structure allows for the development of new drug molecules with potential therapeutic applications.
Used in Dye and Perfume Industry:
In the dye and perfume industry, 2,3,5,6-Tetramethylbenzoic acid 98 is utilized as a building block for the production of dyes and perfumes. Its aromatic properties contribute to the creation of a wide range of colorants and fragrances.
Used in Specialty Polymers and Resins:
2,3,5,6-Tetramethylbenzoic acid 98 is used as an important precursor in the production of specialty polymers and resins. Its incorporation into these materials can enhance their properties, such as stability, durability, and resistance to various environmental factors.
Used in Research and Manufacturing:
Due to its high purity level, 2,3,5,6-Tetramethylbenzoic acid 98 is commonly used in research and manufacturing processes. Its presence ensures the quality and consistency of the final products, making it an essential component in various industrial applications.

InChI:InChI=1/C11H14O2/c1-6-5-7(2)9(4)10(8(6)3)11(12)13/h5H,1-4H3,(H,12,13)

Upstream product

• 75-44-5 phosgene 
• 95-93-2 1,2,4,5-tetramethylbenzene 
• 1646-53-3 bromodurene 
• 509-14-8 tetranitromethane 
• 463-72-9 carbamic chloride 
• 873382-74-2 2-(2.4.6-trimethyl-phenyl)-1-(2.3.5.6-tetramethyl-phenyl)-propen-⁽¹⁾-ol-⁽¹⁾ 
• 67-64-1 acetone 

Downstream Products

• 22524-51-2 2,3,5,6-tetramethylbenzoic acid methyl ester 
• 14984-21-5 4,4'-bis(phenoxy)benzophenone 
• 102560-12-3 2,3,5,6-tetramethyl-4'-phenoxy-benzophenone 
• 102319-31-3 [1]naphthyl-(2,3,5,6-tetramethyl-phenyl)-ketone 
• 67075-69-8 2,3,5,6-Tetramethylbenzoyl chloride 
• 90-96-0 bis(p-methoxyphenyl)methanone 
• 40910-07-4 4'-methoxy-2,3,5,6-tetramethyl-benzophenone 
• 110050-90-3 2,3,5,6,2',4'-hexamethyl-benzophenone 
• 110049-22-4 2',4'-dimethoxy-2,3,5,6-tetramethyl-benzophenone 
• 2571-53-1 2,3,5,6-tetramethylbenzonitrile 
• 95-93-2 1,2,4,5-tetramethylbenzene 
• 527-17-3 Duroquinone 
• 527-35-5 2,3,5,6-tetramethylphenol 
• 86145-89-3 4-nitro-2,3,5,6-tetramethylbenzoic acid 

Relevant articles and documents

INHIBITORS OF STEAROYL-COA DESATURASE

Provided herein are compounds of the formula (I): as well as pharmaceutically acceptable salts thereof, wherein the substituents are as those disclosed in the specification. These compounds, and the pharmaceutical compositions containing them, are useful for the treatment of diseases such as, for example, obesity.

Direct Observation of the Kinetic Acidities of Transient Aromatic Cation Radicals. The Mechanism of Electrophilic Side-Chain Nitration of the Methylbenzenes

The transient cation radicals ArCH3(.+) are spontaneously generated by the 532-nm excitation of the charge-transfer complexes with a 10-ns laser pulse.The decay kinetics of the spectral transients in the presence of added base establish the kinetic acidities (kH) for various methylarene cation radicals with different pyridines and trinitromethide.Such a proton transfer from ArCH3(.+) proceeds with a deuterium kinetic isotope effect of kH/kD ca. 3.Side-chain nitration of hexamethylbenzene (HMB) is shown to proceed in high yields via the intimate triad of reactive fragments II, , that is produced upon the charge-transfer excitation.The subsequent annihilation of the reactive triad II occurs via a rapid succession of bimolecular steps involving either (i) the initial ion-pair collapse of by proton transfer, as shown in Scheme VI, or (ii) the alternative sequence with the initial ion-radical collapse of by homolytic coupling, as shown in Scheme VII.The marked variations of kH/kD with solvent polarity and added innocuous salt (Bu4N(+)ClO4(-)), as reflected in ion-pair separation and the "special" salt effect, serve to effectively distinguish these pathways.The direct bearing of Schemes VI and VII on the mechanism of the thermal (adiabatic) nitration of methylarene side chains with nitric acid is delineated.