528-90-5 Usage
Description
2,4,5-Trimethylbenzoic acid, also known as 2,4,5-TMBA, is a white crystalline powder with a distinct chemical structure. Its crystal structure has been determined through X-ray studies, revealing that two molecules of 2,4,5-TMBA form centrosymmetric carboxyl dimers upon association. 2,4,5-Trimethylbenzoic acid can be synthesized from pseudocumene and has been subject to vibrational analysis for both its monomeric and dimeric forms.
Uses
Used in Chemical Synthesis:
2,4,5-Trimethylbenzoic acid is used as a key intermediate in the synthesis of various organic compounds, particularly in the pharmaceutical and chemical industries. Its unique structure and reactivity make it a valuable building block for the development of new molecules with potential applications in these fields.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 2,4,5-Trimethylbenzoic acid is used as a starting material for the production of various drugs and drug candidates. Its versatile chemical properties allow for the creation of a wide range of therapeutic agents, including those with potential applications in treating various diseases and medical conditions.
Used in Dye and Pigment Industry:
2,4,5-Trimethylbenzoic acid is also utilized in the dye and pigment industry as a precursor for the synthesis of various organic dyes and pigments. Its chemical structure contributes to the development of colorants with specific properties, such as color intensity, stability, and resistance to fading.
Used in Material Science:
In the field of material science, 2,4,5-Trimethylbenzoic acid can be employed in the development of novel materials with specific properties, such as improved thermal stability, mechanical strength, or chemical resistance. Its unique structure and reactivity make it a promising candidate for the creation of advanced materials with potential applications in various industries.
Check Digit Verification of cas no
The CAS Registry Mumber 528-90-5 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 5,2 and 8 respectively; the second part has 2 digits, 9 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 528-90:
(5*5)+(4*2)+(3*8)+(2*9)+(1*0)=75
75 % 10 = 5
So 528-90-5 is a valid CAS Registry Number.
InChI:InChI=1/C10H12O2/c1-6-4-8(3)9(10(11)12)5-7(6)2/h4-5H,1-3H3,(H,11,12)
528-90-5Relevant articles and documents
2,4,5-trimethylbenzoic acid
Barcon, Alan,Cote, Marie L.,Brunskill, Andrew P. J.,Thompson, Hugh W.,Lalancette, Roger A.
, p. 1842 - 1845 (1997)
The X-ray structure of the title compound, C10H12O2, has been determined. The carboxyl and its o-methyl group display typical evasive in-plane splaying away from each other. The carboxyl is coplanar with the benzene ring a
Palladium-Catalyzed ortho-C-H Methylation of Benzoic Acids
Lv, Weiwei,Wen, Si,Liu, Jing,Cheng, Guolin
, p. 9786 - 9791 (2019/08/26)
A palladium-catalyzed methylation of C-H bonds of benzoic acids with di-tert-butyl peroxide as the methylating reagent under an external oxidant and ligand-free conditions has been achieved. The reaction is found to be directed by a weakly coordinating carboxyl group, offering a facile route for the synthesis of highly functionalized ortho-methyl benzoic acids.
Remarkable effect of PEG-1000-based dicationic ionic liquid for N-Hydroxyphthalimide-catalyzed aerobic selective oxidation of alkylaromatics
Lu, Tingting,Lu, Ming,Yu, Wang,Liu, Zhongjie
, p. 277 - 282 (2013/01/15)
PEG 1000-based functional dicationic acidic ionic liquid (PEG 1000-DAIL) was used for the first time as the reaction solvent for the N-Hydroxyphthalimide (NHPI)-cobalt acetate(Co(OAc)2) catalyzed aerobic oxidations of alkylaromatics to the corresponding acids. It enhanced the efficient catalytic ability of NHPI: 99.9 % conversion of toluene with 99.5 % selectivity for benzoic acid could be obtained at 80 °C in 10 h and ethylbenzene was selectively oxidized to benzoic acid. Several alkylaromatics were efficiently oxidized to their corresponding acids under mild conditions. For substituted toluene, the conversions of substrates and the selectivity of products was affected by the position and kind of substituted groups, respectively. Both the catalyst and PEG1000-DAIL could be reused at least eight times without significantly decreasing the catalytic activity.
