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528-90-5

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528-90-5 Usage

Chemical Properties

White powder

General Description

Crystal structure of 2,4,5-trimethylbenzoic acid (2,4,5-TMBA) has been determined by X-ray studies. Two molecules of 2,4,5-TMBA on association affords centrosymmetric carboxyl dimers. 2,4,5-TMBA can be synthesized from pseudocumene. Vibrational analysis of monomeric and dimeric foms of 2,4,5-TMBA have been reported.

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.

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