4-(2-METHYLPHENYL)-4-OXOBUTYRIC ACID

Base Information

• Chemical Name: 4-(2-METHYLPHENYL)-4-OXOBUTYRIC ACID
• CAS No.: 6939-36-2
• Molecular Formula: C11H12O3
• Molecular Weight: 192.214
• Hs Code.: 2918300090
• Mol file: 6939-36-2.mol

Synonyms:Benzenebutanoic acid, 2-methyl-γ-oxo-;

Chemical Property of 4-(2-METHYLPHENYL)-4-OXOBUTYRIC ACID

Chemical Property:

• Vapor Pressure: 3.49E-06mmHg at 25°C
• Melting Point: 102-105 °C
• Refractive Index: 1.542
• Boiling Point: 371.7 °C at 760 mmHg
• Flash Point: 192.8 °C
• PSA: 54.37000
• Density: 1.165 g/cm³
• LogP: 2.04250

Purity/Quality:

99% ^*data from raw suppliers

4-(2-Methylphenyl)-4-oxobutyricAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-(2-METHYLPHENYL)-4-OXOBUTYRIC ACID

There total 6 articles about 4-(2-METHYLPHENYL)-4-OXOBUTYRIC 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: 98.0%

succinic acid anhydride (108-30-5) + ortho-tolylmagnesium bromide (932-31-0) → 4-(2-methylphenyl)-4-oxobutanoic acid (6939-36-2)

Guidance literature:

In tetrahydrofuran; at -78 - 20 ℃; for 2h;

DOI:10.1021/jm201348t

Reference yield: 75.0%

succinic acid anhydride (108-30-5) + o-tolyl magnesium chloride (33872-80-9) → 4-(2-methylphenyl)-4-oxobutanoic acid (6939-36-2)

Guidance literature:

In toluene; for 2h; Ambient temperature;

DOI:10.1021/jm9707131

Reference yield: 73.8%

3-(2-methylbenzoyl)acrylic acid (118540-57-1) → 4-(2-methylphenyl)-4-oxobutanoic acid (6939-36-2)

Guidance literature:

With zinc; In water; acetic acid; for 3h; Ambient temperature;

DOI:10.1248/cpb.36.2050

upstream raw materials:

methyl 4-(2-methylphenyl)-4-oxobutanoate

3-(2-methylbenzoyl)acrylic acid

succinic acid anhydride

o-tolyl magnesium chloride

Downstream raw materials:

4-(2-methylphenyl)butanoic acid

3-(2-methylbenzoyl)-3-butenoic acid

tert-butyl 4-oxo-4-(o-tolyl)butanoate

tert-butyl (S)-4-hydroxy-4-(2-methylphenyl)butanoate