6331-04-0

Basic information

• Product Name: 2,5-DIMETHYLPHENYLACETIC ACID
• Synonyms: Acetic acid, (2,4-xylyl)-;2,4-Dimethylphenylaceticacid97%;2,4-diMethyphenylacetic acid;ASISCHEM D13366;(2,4-XYLYL)ACETIC ACID;RARECHEM AL BO 0306
• CAS NO: 6331-04-0
• Molecular Formula: C₁₀H₁₂O₂
• Molecular Weight: 164.2
• EINECS: 237-097-6
• Mol File: 6331-04-0.mol
• Article Data: 7

Chemical Properties

• Melting Point: 128-132 °C
• Boiling Point: 251.67°C (rough estimate)
• Flash Point: 192.2ºC
• Appearance: /
• Density: 1.0326 (rough estimate)
• Vapor Pressure: 0.000707mmHg at 25°C
• Refractive Index: 1.5460 (estimate)
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 4.40±0.10(Predicted)
• CAS DataBase Reference: 2,5-DIMETHYLPHENYLACETIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2,5-DIMETHYLPHENYLACETIC ACID(6331-04-0)
• EPA Substance Registry System: 2,5-DIMETHYLPHENYLACETIC ACID(6331-04-0)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26
• Hazardous Substances Data: 6331-04-0(Hazardous Substances Data)

Usage

General Description

2,5-DIMETHYLPHENYLACETIC ACID is a chemical compound with the molecular formula C10H12O2. It is commonly used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. 2,5-DIMETHYLPHENYLACETIC ACID is a white to off-white solid with a melting point of around 130-132°C. It is insoluble in water but soluble in organic solvents such as ethanol and ethyl acetate. 2,5-DIMETHYLPHENYLACETIC ACID is known for its ability to act as a chiral auxiliary in organic synthesis, making it a valuable compound in the pharmaceutical industry. It is also used as a building block in the production of various organic compounds.

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)

Upstream product

• 68429-53-8 (2,4-dimethylphenyl)acetonitrile 
• 124-38-9 carbon dioxide 
• 824-55-5 2,4-dimethyl-benzyl chloride 
• 7647-01-0 hydrogenchloride 
• 7726-95-6 bromine 
• 4436-81-1 homoterpenylmethylketone 
• 201230-82-2 carbon monoxide 
• 2234-20-0 2,4-dimethylstyrene 
• 7440-44-0 pyrographite 
• 89-74-7 2,4-dimethylacetophenone. 
• 108-38-3 m-xylene 
• 58930-63-5 (3¹R,3³S)-3²,3²-dimethyl-3(1,3)cyclopropyla-5-oxohexanoic acid 
• 21297-58-5 4,6-dimethyl-cyclohepta-1,3,6-trienecarboxylic acid 
• 91061-51-7 (rac)-2-(2,4-dimethylphenyl)-2-hydroxyacetic acid 

Downstream Products

• 89722-18-9 methyl 2,4-dimethylphenyl acetate 
• 81561-61-7 (2,4-dimethyl-phenyl)-acetone 
• 63296-78-6 1-Phenyl-6-<2,4-dimethyl-phenyl>-hexatrien-(1,3,5) 
• 95-63-6 1,2,4-Trimethylbenzene 
• 854672-44-9 1,3-bis-(2,4-dimethyl-phenyl)-acetone 
• 96-22-0 pentan-3-one 
• 1092065-45-6 C₂₇H₃₁N₃O₃S 
• 1092069-52-7 C₂₀H₂₅N₃O 
• 1076690-65-7 N-(4-{1-[2-(2,4-dimethyl-phenyl)-acetyl]-4,5-dihydro-1H-pyrazol-3-yl}-phenyl)-methanesulfonamide 
• 101687-24-5 3,4-dihydro-1-(2',4'-dimethylbenzyl)-β-carboline 
• 101687-26-7 1-(2',4'-dimethylbenzyl)-β-carboline 
• 143819-02-7 4-[1-(2,4-Dimethyl-benzylcarbamoyl)-3,3-diethyl-4-oxo-azetidin-2-yloxy]-benzoic acid 
• 56651-59-3 2,4-dimethylbenzyl isocyanate 

Relevant articles and documents

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

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.

PDE9 inhibitors for treating cardiovascular disorders

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.

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

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