2,4-DIMETHYLBENZOYLACETONITRILE

Base Information

• Chemical Name: 2,4-DIMETHYLBENZOYLACETONITRILE
• CAS No.: 53882-91-0
• Molecular Formula: C11H11 N O
• Molecular Weight: 173.214
• Hs Code.: 2926909090
• Mol file: 53882-91-0.mol

Synonyms:2,4-Dimethylbenzoylacetonitrile;3-(2,4-Dimethylphenyl)-3-oxopropionitrile; NSC 145010

Chemical Property of 2,4-DIMETHYLBENZOYLACETONITRILE

Chemical Property:

• Vapor Pressure: 0.000156mmHg at 25°C
• Boiling Point: 331.4°Cat760mmHg
• Flash Point: 154.2°C
• PSA: 40.86000
• Density: 1.06g/cm³
• LogP: 2.39978

Purity/Quality:

97% ^*data from raw suppliers

2,4-Dimethyl-b-oxo-benzenepropanenitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2,4-DIMETHYLBENZOYLACETONITRILE

There total 4 articles about 2,4-DIMETHYLBENZOYLACETONITRILE 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%

1-iodo-2,4-dimethylbenzene (4214-28-2) + 2-trimethylsilylacetonitrile (18293-53-3) + carbon monoxide (201230-82-2) → 3-(2,4-dimethylphenyl)-3-oxopropanenitrile (53882-91-0)

Guidance literature:

With zinc(II) fluoride; (2-methylallyl)palladium-chloride dimer; copper(ll) bromide; In N,N-dimethyl-formamide; at 80 ℃; for 12h; under 7600.51 Torr;

DOI:10.1021/ol300035u

Reference yield: 63.0%

1-iodo-2,4-dimethylbenzene (4214-28-2) + 2-trimethylsilylacetonitrile (18293-53-3) + molybdenum hexacarbonyl (13939-06-5,199620-15-0) → 3-(2,4-dimethylphenyl)-3-oxopropanenitrile (53882-91-0)

Guidance literature:

With copper (II)-fluoride; bis-triphenylphosphine-palladium(II) chloride; In acetonitrile; at 80 ℃; for 16h;

DOI:10.1055/s-0032-1316760

Reference yield:

potassium cyanide (151-50-8) → 3-(2,4-dimethylphenyl)-3-oxopropanenitrile (53882-91-0)

Guidance literature:

With ethanol;

upstream raw materials:

potassium cyanide

1-iodo-2,4-dimethylbenzene

2-trimethylsilylacetonitrile

carbon monoxide

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