2,5-DIMETHYLPHENYLACETIC ACID

Base Information

• Chemical Name: 2,5-DIMETHYLPHENYLACETIC ACID
• CAS No.: 6331-04-0
• Molecular Formula: C10H12 O2
• Molecular Weight: 164.204
• Hs Code.: 2916399090
• Mol file: 6331-04-0.mol

Synonyms:Aceticacid, (2,4-xylyl)- (6CI,8CI); 2,4-Dimethylbenzeneacetic acid;2,4-Dimethylphenylacetic acid; NSC 45642

Chemical Property of 2,5-DIMETHYLPHENYLACETIC ACID

Chemical Property:

• Vapor Pressure: 0.000707mmHg at 25°C
• Melting Point: 128-132 ºC
• Refractive Index: 1.5460 (estimate)
• Boiling Point: 295.1 ºC at 760 mmHg
• PKA: 4.40±0.10(Predicted)
• Flash Point: 192.2ºC
• PSA: 37.30000
• Density: 1.098 g/cm³
• LogP: 1.93050
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

99% ^*data from raw suppliers

2-(2,4-Dimethylphenyl)aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2,5-DIMETHYLPHENYLACETIC ACID

There total 21 articles about 2,5-DIMETHYLPHENYLACETIC ACID which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 85.0%

carbon monoxide (201230-82-2) + 2,4-dimethyl-benzyl chloride (824-55-5) → 2,4-dimethylphenylacetic acid (6331-04-0)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; tetraethylammonium chloride; sodium hydroxide; In 5,5-dimethyl-1,3-cyclohexadiene; at 80 ℃; for 20h; under 11251.1 Torr; regioselective reaction; Autoclave;

DOI:10.1177/1747519819876202

Reference yield: 80.0%

ethyl α-(phenylseleno)-o,m-dimethylphenyl acetate → 2,4-dimethylphenylacetic acid (6331-04-0)

Guidance literature:

With sodium hydroxide; sodium tetrahydroborate; dithienylditelluride; In ethanol; for 0.0833333h; Ambient temperature;

DOI:10.1080/00397919408011508

Reference yield: 45.0%

2,4-dimethylstyrene (2234-20-0) → 2,4-dimethylphenylacetic acid (6331-04-0)

Guidance literature:

With Oxone; iodine; In 1,2-dimethoxyethane; water; at 20 ℃; for 3h; regioselective reaction;

DOI:10.1039/c5ra25296b

upstream raw materials:

(2,3,3-trimethyl-cyclopent-1-enyl)-acetic acid

(2,4-dimethylphenyl)acetonitrile

(rac)-2-(2,4-dimethylphenyl)-2-hydroxyacetic acid

4,6-dimethyl-cyclohepta-1,3,6-trienecarboxylic acid

Downstream raw materials:

2-(2,4-dimethylphenyl)ethanol

(2,4-dimethyl-phenyl)-acetyl chloride

1,3-bis-(2,4-dimethyl-phenyl)-acetone

1,2,4-Trimethylbenzene

Refernces

• 1、 Kodumuri, Srujana,Peraka, Swamy,Mameda, Naresh,Chevella, Durgaiah,Banothu, Rammurthy,Nama, Narender. "Metal-free, catalytic regioselective oxidative conversion of vinylarenes: A mild approach to phenylacetic acid derivatives". . p. 6719 - 6723. Retrieved 2016/02/03.
• 2、 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.. "Quinolones as gonadotropin releasing hormone (GnRH) antagonists: Simultaneous optimization of the C(3)-aryl and C(6)-substituents". . p. 1723 - 1727. Retrieved 2007/10/03.