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2,5-DIMETHYLPHENYLACETIC ACID, a chemical compound with the molecular formula C10H12O2, is a white to off-white solid with a melting point of approximately 130-132°C. It is insoluble in water but readily soluble in organic solvents such as ethanol and ethyl acetate. 2,5-DIMETHYLPHENYLACETIC ACID is recognized for its role as a chiral auxiliary in organic synthesis, which makes it a valuable asset in the pharmaceutical industry. Additionally, it serves as a building block in the creation of various organic compounds.

6331-04-0

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6331-04-0 Usage

Uses

Used in Pharmaceutical Industry:
2,5-DIMETHYLPHENYLACETIC ACID is used as a chiral auxiliary in organic synthesis for its ability to influence the stereochemistry of reactions, leading to the production of enantiomerically pure compounds. This is crucial for the development of pharmaceuticals, where the desired biological activity is often associated with a specific enantiomer.
Used in Agrochemical Synthesis:
In the agrochemical industry, 2,5-DIMETHYLPHENYLACETIC ACID is utilized as an intermediate in the synthesis of various agrochemicals, contributing to the development of effective products for crop protection and enhancement of agricultural yields.
Used in Organic Synthesis:
2,5-DIMETHYLPHENYLACETIC ACID is used as a building block in the production of a range of organic compounds, facilitating the creation of new molecules with potential applications in various fields, including materials science, fragrances, and dyes.

Check Digit Verification of cas no

The CAS Registry Mumber 6331-04-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,3,3 and 1 respectively; the second part has 2 digits, 0 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 6331-04:
(6*6)+(5*3)+(4*3)+(3*1)+(2*0)+(1*4)=70
70 % 10 = 0
So 6331-04-0 is a valid CAS Registry Number.
InChI:InChI=1/C10H12O2/c1-7-3-4-9(6-10(11)12)8(2)5-7/h3-5H,6H2,1-2H3,(H,11,12)

6331-04-0 Well-known Company Product Price

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  • Alfa Aesar

  • (H50284)  2,4-Dimethylphenylacetic acid, 98%   

  • 6331-04-0

  • 250mg

  • 457.0CNY

  • Detail
  • Alfa Aesar

  • (H50284)  2,4-Dimethylphenylacetic acid, 98%   

  • 6331-04-0

  • 1g

  • 1554.0CNY

  • Detail

6331-04-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 2,4-Dimethylphenylacetic Acid

1.2 Other means of identification

Product number -
Other names 2-(2,4-dimethylphenyl)acetic 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:6331-04-0 SDS

6331-04-0Relevant academic research and scientific papers

An improved method for the synthesis of phenylacetic acid derivatives via carbonylation

Li, He,Zhang, Yijun,Liu, Dinghua,Liu, Xiaoqin

, p. 548 - 552 (2019/11/13)

2,4-Dichlorophenylacetic acid is synthesized in high yield via the carbonylation of 2,4-dichlorobenzyl chloride, and various experimental conditions are evaluated. Xylene, bistriphenylphosphine palladium dichloride, tetraethylammonium chloride and sodium hydroxide in solution are added to the reaction system and held at 80 °C under a CO atmosphere. 2,4-Dichlorophenylacetic acid is obtained in a maximum yield of 95percent, and a mechanism for 2,4-dichlorobenzyl chloride carbonylation is proposed. The reaction system provides a mild, effective and novel means by which to prepare phenylacetic acid derivatives from their corresponding benzyl chloride derivatives.

Metal-free, catalytic regioselective oxidative conversion of vinylarenes: A mild approach to phenylacetic acid derivatives

Kodumuri, Srujana,Peraka, Swamy,Mameda, Naresh,Chevella, Durgaiah,Banothu, Rammurthy,Nama, Narender

, p. 6719 - 6723 (2016/02/03)

A new synthetic approach towards the synthesis of phenylacetic acids from aromatic alkenes has been developed for the first time under mild conditions by employing non-toxic reagents such as molecular iodine and oxone. This metal-free catalytic regioselective oxygenation of vinylarenes proceeds via tandem iodofunctionalization/de-iodination induced rearrangement.

PDE9 inhibitors for treating cardiovascular disorders

-

, (2008/06/13)

The invention relates to PDE9 inhibitors for treating cardiovascular disorders. Preferred PDE9 inhibitors are compounds of formula I wherein R1 is H or C1-6 alkyl, wherein R1 is attached to either N1 or N2; R2 is C1-6 alkyl optionally substituted by hydroxy or alkoxy; C3-7 cycloalkyl optionally substituted by alkyl, hydroxy or alkoxy; a saturated 5-6-membered heterocycle optionally substituted by alkyl, hydroxy or alkoxy; het1 or Ar1; R3 is C1-6 alkyl optionally substituted by 1 or 2 groups independently selected from: Ar2; C3-7cycloalkyl optionally substituted by C1-6alkyl; OAr2; SAr2; NHC(O)C1-6 alkyl; het2; xanthene; and naphthalene.

Quinolones as gonadotropin releasing hormone (GnRH) antagonists: Simultaneous optimization of the C(3)-aryl and C(6)-substituents

Young, Jonathan R.,Huang, Song X.,Chen, Irene,Walsh, Thomas F.,DeVita, Robert J.,Wyvratt Jr., Matthew J.,Goulet, Mark T.,Ren, Ning,Lo, Jane,Yang, Yi Tien,Yudkovitz, Joel B.,Cheng, Kang,Smith, Roy G.

, p. 1723 - 1727 (2007/10/03)

A series of 3-arylquinolones was prepared and evaluated for their ability to act as gonadotropin releasing hormone (GnRH) antagonists. A variety of substitution patterns of the 3-aryl substituent are described. The 3,4,5-trimethylphenyl substituent (23h) was found to be optimal. (C) 2000 Elsevier Science Ltd. All rights reserved.

Reductive removal of phenylseleno groups from α-phenylseleno carbonyl compounds by means of tellurolate anions

Silveira,Lenardao,Comasseto

, p. 575 - 582 (2007/10/02)

α-Phenylseleno carbonyl compounds are reduced to the corresponding selenium free carbonyl compounds by reaction with organic and inorganic tellurolate anions.

ALKALOIDS OF Nitraria schoberi. STRUCTURE OF NITRARAINE

Ibragimov, A. A.,Yunusov, S. Yu.

, p. 502 - 509 (2007/10/02)

The dehydration of nitraraine leads to the formation of 1-(2',6'-dimethylbenzyl)-β-carboline, together with other products.Several isomeric 1-(dimethylbenzyl)-β-carbolines have been synthesized for comparison.The products of acylation, hydrogenation, and oxidation of the alkaloid nitraraine have been studied.The results obtained have shown its structure as (+/-)-16-hydroxymethylyohimb-16-ene.

Acid-catalysed Rearrangements of Methyl 1R-cis-2,2-Dimethyl-3-(2-oxopropyl)cyclopropane Carboxylate and Related Compounds+

Mahamulkar, B. G.,Kulkarni, G. H.,Mitra, R. B.

, p. 910 - 911 (2007/10/02)

Methyl 2,2-dimethyl-3-(2-oxopropyl)-cis-cyclopropane-1-acetate (III) on heating with phosphoric acid affords (+)-homoterpenyl methyl ketone (IIa).Bromination of III at 0 deg C in the presence of sodium acetate affords among other products methyl 2,4-dimethylphenylacetate (VIII).Methyl 1R-cis-2,2-dimethyl-3-(2-oxopropyl)cyclopropane carboxylate (XI) on heating with phosphoric acid affords 3,3-dimethyl-4-(2-oxopropyl)butyrolactone (XIV).Methyl 1S-cis-2,2-dimethyl-3-(2-oxo-2-phenylethyl)cyclopropane carboxylate (XIII) on similar treatment affords the 3,3-dimethyl-4-(2-oxo-2-phenylethyl)butyrolactone (XV).

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