4-(3,4-DIMETHYLPHENYL)-4-OXOBUTANOIC ACID

Base Information

• Chemical Name: 4-(3,4-DIMETHYLPHENYL)-4-OXOBUTANOIC ACID
• CAS No.: 51036-98-7
• Molecular Formula: C12H14O3
• Molecular Weight: 206.241
• Hs Code.: 2918300090
• Mol file: 51036-98-7.mol

Synonyms:4-oxo-4-(3,4-dimethylphenyl)butanoic acid;4-(3,4-Dimethyl-phenyl)-4-oxo-buttersaeure;4-(3,4-Dimethyl-phenyl)-4-oxo-butyric acid;4-Oxo-4-[3.4]xylyl-buttersaeure;3-(3,4-dimethylbenzoyl)propionic acid;3-Oxo-3-(3.4-dimethyl-phenyl)-propan-carbonsaeure-(1);

Chemical Property of 4-(3,4-DIMETHYLPHENYL)-4-OXOBUTANOIC ACID

Chemical Property:

• Vapor Pressure: 3.47E-07mmHg at 25°C
• Melting Point: 129 °C
• Boiling Point: 402.1°Cat760mmHg
• PKA: 4.58±0.17(Predicted)
• Flash Point: 211.1°C
• PSA: 54.37000
• Density: 1.138g/cm³
• LogP: 2.35090

Purity/Quality:

98%min ^*data from raw suppliers

4-(3,4-Dimethylphenyl)-4-oxobutyricAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-(3,4-DIMETHYLPHENYL)-4-OXOBUTANOIC ACID

There total 2 articles about 4-(3,4-DIMETHYLPHENYL)-4-OXOBUTANOIC 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:

4-(3,4-dimethylphenyl)-4-oxobutanoic acid ethyl ester (175394-01-1) + 3-(4-cyclohexylbenzoyl)propionic acid (35288-13-2) → 3-(3,4-dimethylbenzoyl)propionic acid (51036-98-7)

Guidance literature:

Reference yield:

→ 3-(3,4-dimethylbenzoyl)propionic acid (51036-98-7)

Guidance literature:

Reference yield: 88.0%

3-(3,4-dimethylbenzoyl)propionic acid (51036-98-7) → γ-(3,4-dimethylphenyl)butyric acid (5465-18-9)

Guidance literature:

With potassium hydroxide; hydrazine hydrate; In various solvent(s); 1) 2 h, reflux, 2) 180-190 deg C, ca. 4 h;

upstream raw materials:

4-(3,4-dimethylphenyl)-4-oxobutanoic acid ethyl ester

3-(4-cyclohexylbenzoyl)propionic acid

Downstream raw materials:

4-(3,4-dimethyl-phenyl)-4-oxo-butyric acid methyl ester

γ-(3,4-dimethylphenyl)butyric acid

3,4-dimethylbenzoic acid

3-((Ξ)-benzylidene)-5-(3,4-dimethyl-phenyl)-3H-furan-2-one

Refernces