2-(4-Methylphenyl)propanoic acid

Base Information

• Chemical Name: 2-(4-Methylphenyl)propanoic acid
• CAS No.: 938-94-3
• Molecular Formula: C10H12O2
• Molecular Weight: 164.204
• Hs Code.: 29163990
• Mol file: 938-94-3.mol

Synonyms:Hydratropicacid, p-methyl- (6CI,7CI,8CI);2-(4-Tolyl)propionic acid;2-p-Tolylpropionic acid;p-Methylhydratropic acid;α,4-Dimethylbenzeneacetic acid;α-(p-Tolyl)propionic acid;2-(p-Tolyl)propanoic acid;

Chemical Property of 2-(4-Methylphenyl)propanoic acid

Chemical Property:

• Appearance/Colour: clear yellow liquid after melting
• Vapor Pressure: 0.0021mmHg at 25°C
• Melting Point: 37-42 °C(lit.)
• Refractive Index: 1.518-1.52
• Boiling Point: 278 °C at 760 mmHg
• PKA: 4.44±0.10(Predicted)
• Flash Point: 175.2 °C
• PSA: 37.30000
• Density: 1.091 g/cm³
• LogP: 2.18310
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)

Purity/Quality:

99% ^*data from raw suppliers

2-(p-Tolyl)propionicAcid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Uses: 2-(p-Tolyl)propionic acid is an impurity of Ibuprofen (I140000). Ibuprofen impurity D. 2-(p-Tolyl)propionic acid (Ibuprofen EP Impurity D) is an impurity of Ibuprofen (I140000). Ibuprofen impurity D.

Technology Process of 2-(4-Methylphenyl)propanoic acid

There total 58 articles about 2-(4-Methylphenyl)propanoic 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: 93.0%

2-(4-methylphenyl)propanoic acid ethyl ester (78926-01-9) → (R,S)-2-(4'-methylphenyl) propionic acid (938-94-3)

Guidance literature:

With water; potassium hydroxide; In acetone; at 20 ℃; Inert atmosphere; Schlenk technique;

DOI:10.1002/hlca.201500062

Reference yield: 92.1%

methyl 2-(4-methylphenyl)propanoate (79443-97-3) → (R,S)-2-(4'-methylphenyl) propionic acid (938-94-3)

Guidance literature:

With sodium hydroxide; In methanol; for 2h; Heating;

DOI:10.1248/cpb.40.1721

Reference yield: 92.0%

(+/-)-2-(4'-methylphenyl)-propionitrile (75920-45-5) → (R,S)-2-(4'-methylphenyl) propionic acid (938-94-3)

Guidance literature:

With sodium hydroxide; at 100 - 105 ℃;

upstream raw materials:

2,4,6-trimethyl-pyridine

2-diazo-1-(p-tolyl)propan-1-one

benzyl alcohol

(+/-)-2-(4'-methylphenyl)-propionitrile

Downstream raw materials:

(2,4-dimethyl-phenyl)-acetic acid amide

(±)-4-(1-carboxyethyl)benzoic acid

R-(-)-2-(4'-methylphenyl)-propanoic acid

(S)-(+)-2-(4'-methylphenyl)propanoic acid

Refernces

• 1、 Radhoff, Niklas,Studer, Armido. "Functionalization of α-C(sp3)?H Bonds in Amides Using Radical Translocating Arylating Groups". supporting information. p. 3561 - 3565. Retrieved 2021/01/04.
• 2、 Wang, Fei,Nishimoto, Yoshihiro,Yasuda, Makoto. "Insertion of Diazo Esters into C-F Bonds toward Diastereoselective One-Carbon Elongation of Benzylic Fluorides: Unprecedented BF3Catalysis with C-F Bond Cleavage and Re-formation". supporting information. p. 20616 - 20621. Retrieved 2021/11/23.