ETHYL 4-(3-METHYLPHENYL)-4-OXOBUTYRATE

Base Information

• Chemical Name: ETHYL 4-(3-METHYLPHENYL)-4-OXOBUTYRATE
• CAS No.: 73931-65-4
• Molecular Formula: C13H16O3
• Molecular Weight: 220.268
• Hs Code.: 2918300090
• Mol file: 73931-65-4.mol

Synonyms:ETHYL 4-(3-METHYLPHENYL)-4-OXOBUTYRATE

Chemical Property of ETHYL 4-(3-METHYLPHENYL)-4-OXOBUTYRATE

Chemical Property:

• Vapor Pressure: 6.59E-05mmHg at 25°C
• Boiling Point: 344.4°C at 760 mmHg
• Flash Point: 151.2°C
• PSA: 43.37000
• Density: 1.065g/cm³
• LogP: 2.52100

Purity/Quality:

97% ^*data from raw suppliers

Ethyl4-(3-methylphenyl)-4-oxobutyrate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of ETHYL 4-(3-METHYLPHENYL)-4-OXOBUTYRATE

There total 8 articles about ETHYL 4-(3-METHYLPHENYL)-4-OXOBUTYRATE 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: 71.0%

ethyl 3-(chloroformyl)propionate (14794-31-1,97900-84-0) + meta-bromotoluene (591-17-3) → ethyl 4-(3-methylphenyl)-4-oxobutanoate (73931-65-4)

Guidance literature:

meta-bromotoluene; With magnesium; In tetrahydrofuran; at 40 ℃; for 2h; Schlenk technique; Inert atmosphere;

ethyl 3-(chloroformyl)propionate; In tetrahydrofuran; at 0 ℃; for 6h; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.orglett.5b03543

Reference yield: 66.0%

3-Iodotoluene (625-95-6) + ethyl acrylate (140-88-5,9003-32-1) + molybdenum hexacarbonyl (13939-06-5,199620-15-0) → ethyl 4-(3-methylphenyl)-4-oxobutanoate (73931-65-4)

Guidance literature:

In N,N-dimethyl-formamide; at 160 ℃; for 1h;

DOI:10.1055/s-2007-973858

Reference yield:

ethyl 2-sulfanylacetate (623-51-8) + 1-(1-chlorovinyl)-3-methylbenzene → ethyl 4-(3-methylphenyl)-4-oxobutanoate (73931-65-4)

Guidance literature:

With oxygen; C₄₂H₃₄F₁₀IrN₄⁽¹⁺⁾*F₆P^(1-); triethylamine; triphenylphosphine; In dichloromethane; at 20 ℃; for 7h; Irradiation;

DOI:10.1021/acs.orglett.1c02208

upstream raw materials:

2-ethoxypyrrolin-5-one

meta-bromotoluene

ethyl 3-(chloroformyl)propionate

3-Iodotoluene

Downstream raw materials:

4-Methyl-4-m-tolyl-pentanoic acid

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