42288-46-0

Basic information

• Product Name: 3,5-Dimethylphenylacetic acid
• Synonyms: RARECHEM AL BO 0591;3,5-DIMETHYLPHENYLACETIC ACID;AKOS BC-3170;3,5-DIMETHYLPHENYLACETIC ACID 98+%;3,5-DiMethylphenylacetic acid, 98% 1GR;2-(3,5-diMethylphenyl)acetic acid;2-(3,5-dimethylphenyl)ethanoic acid
• CAS NO: 42288-46-0
• Molecular Formula: C₁₀H₁₂O₂
• Molecular Weight: 164.2
• Product Categories: Aromatic Phenylacetic Acids and Derivatives
• Mol File: 42288-46-0.mol
• Article Data: 8

Chemical Properties

• Melting Point: 98-102 °C
• Boiling Point: 291 °C at 760 mmHg
• Flash Point: 188.1 °C
• Appearance: white to light beige crystalline powder
• Density: 1.098 g/cm³
• Vapor Pressure: 0.000921mmHg at 25°C
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 4.31±0.10(Predicted)
• BRN: 2083903
• CAS DataBase Reference: 3,5-Dimethylphenylacetic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3,5-Dimethylphenylacetic acid(42288-46-0)
• EPA Substance Registry System: 3,5-Dimethylphenylacetic acid(42288-46-0)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 37/39-26
• HazardClass: IRRITANT
• Hazardous Substances Data: 42288-46-0(Hazardous Substances Data)

Usage

Description

3,5-Dimethylphenylacetic acid, also known as 2-(3,5-Dimethylphenyl)acetic acid, is an organic compound that belongs to the class of aromatic carboxylic acids. It is a white to light beige crystalline powder with distinct chemical properties, making it a versatile compound for various applications.

Uses

Used in Pharmaceutical Industry:
3,5-Dimethylphenylacetic acid is used as an active pharmaceutical intermediate for the synthesis of various drugs and medications. Its unique chemical structure allows it to serve as a key building block in the development of new pharmaceutical compounds, contributing to the advancement of medical treatments.
Used in Chemical Synthesis:
3,5-Dimethylphenylacetic acid is also utilized in chemical synthesis processes, where it can be further modified or combined with other compounds to create a wide range of products. Its versatility in chemical reactions makes it a valuable asset in the development of new materials and substances for various industries.

InChI:InChI=1/C10H12O2/c1-7-3-8(2)5-9(4-7)6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)/p-1

Upstream product

• 27129-86-8 1-bromomethyl-3,5-dimethylbenzene 
• 873384-01-1 (3,5-dimethyl-phenyl)-acetic acid amide 
• 88973-57-3 (3,5-dimethyl-cyclohex-2-enyliden)-acetic acid 
• 110426-36-3 KCH₂C₆H₃Me₂ 
• 15719-64-9 methylammonium carbonate 
• 108-90-7 chlorobenzene 
• 108-67-8 1,3,5-trimethyl-benzene 
• 124-38-9 carbon dioxide 
• 86846-72-2 1,3-dimethyl-5-phenethylbenzene 
• 39101-54-7 3,5-dimethylphenylacetonitrile 
• 151-50-8 potassium cyanide 
• 67-66-3 chloroform 
• 7726-95-6 bromine 
• 165810-46-8 2-diazo-1-(3,5-dimethyl-phenyl)-ethanone 

Downstream Products

• 62343-67-3 β-(3,5-Dimethylphenyl)ethyl alcohol 
• 75251-27-3 1-(3,5-dimethylphenyl)propan-2-one 
• 93318-98-0 2-<3,5-Dimethyl-phenyl>-trans-zimtsaeure 
• 928775-73-9 1-(2-iodo-ethyl)-3,5-dimethyl-benzene 
• 928776-03-8 4-[2-(3,5-dimethyl-phenyl)-ethyl]-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazine-6-carbaldehyde 
• 199861-67-1 4-chloro-2-[2-(3,5-dimethylphenyl)-acetylamino]-5-nitro-benzoic acid methyl ester 
• 199861-68-2 7-chloro-3-(3,5-dimethylphenyl)-4-hydroxy-6-nitro-1H-quinolin-2-one 
• 199942-73-9 (S)-2-{2-[7-chloro-3-(3,5-dimethylphenyl)-6-nitro-2-oxo-1,2-dihydroquinolin-4-yloxy]-ethyl}-piperidine-1-carboxylic acid tert-butyl ester 
• 199861-83-1 4-chloro-2-[2-(3,5-dimethylphenyl)-acetylamino]-5-iodo-benzoic acid methyl ester 
• 199861-89-7 7-chloro-3-(3,5-dimethylphenyl)-4-hydroxy-6-iodo-1H-quinolin-2-one 
• 199861-85-3 6-allyl-7-chloro-3-(3,5-dimethylphenyl)-4-hydroxy-1H-quinolin-2-one 
• 199861-84-2 5-allyl-4-chloro-2-[2-(3,5-dimethylphenyl)-acetylamino]-benzoic acid methyl ester 

Relevant articles and documents

Desulfonylative Electrocarboxylation with Carbon Dioxide

Electrocarboxylation of organic halides is one of the most investigated electrochemical approaches for converting thermodynamically inert carbon dioxide (CO2) into value-added carboxylic acids. By converting organic halides into their sulfone derivatives, we have developed a highly efficient electrochemical desulfonylative carboxylation protocol. Such a strategy takes advantage of CO2as the abundant C1 building block for the facile preparation of multifunctionalized carboxylic acids, including the nonsteroidal anti-inflammatory drug ibuprofen, under mild reaction conditions.

Carboxylation of benzylic and aliphatic C-H bonds with CO2 induced by light/ketone/nickel

A photoinduced carboxylation reaction of benzylic and aliphatic C-H bonds with CO2 is developed. Toluene derivatives capture gaseous CO2 at the benzylic position to produce phenylacetic acid derivatives when irradiated with UV light in the presence of an aromatic ketone, a nickel complex, and potassium tert-butoxide. Cyclohexane reacts with CO2 to furnish cyclohexanecar-boxylic acid under analogous reaction conditions. The present photoinduced carboxylation reaction provides a direct access from readily available hydrocarbons to the corresponding carboxylic acids with one carbon extension.

Exalted resonance demands in the substituent effects on the acetolyses of 2-arylethyl trifluoromethanesulfonates destabilized by cn and cf3 groups

Substituent effects on the acetolysis rates of 2-aryl-l-cyano-l- (trifluoromethyl)ethyl trifluoromethanesulfonates (α-OTf) and 2-aryl-2-cyano-2-(trifluoromethyl)ethyl trifluoromethanesulfonates (ss-OTf) were investigated by using LArSR equation. The obtained p and r+ values were p = -3.28, r+ = 0.98 and p = -3.48,r+ = 0.93 for the acetolysis of α-OTf and ss-OΥi, respectively. The obtained p values are comparable to those for typical aryl-assisted solvolyses, but the r+ values are much larger. The large r+ values suggest that the ester bond cleavages in the deactivated aryl-assisted solvolyses are assisted by the strong participation of the ss-aryl group.