4'-CYANO-2,2-DIMETHYLPROPIOPHENONE

Base Information

• Chemical Name: 4'-CYANO-2,2-DIMETHYLPROPIOPHENONE
• CAS No.: 150009-08-8
• Molecular Formula: C12H13NO
• Molecular Weight: 187.241
• Mol file: 150009-08-8.mol

Synonyms:4'-CYANO-2,2-DIMETHYLPROPIOPHENONE

Chemical Property of 4'-CYANO-2,2-DIMETHYLPROPIOPHENONE

Chemical Property:

• Vapor Pressure: 0.000375mmHg at 25°C
• Boiling Point: 317.9°C at 760 mmHg
• Flash Point: 146°C
• PSA: 40.86000
• Density: 1.04g/cm³
• LogP: 2.78708

Purity/Quality:

97% ^*data from raw suppliers

4'-Cyano-2,2-dimethylpropiophenone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4'-CYANO-2,2-DIMETHYLPROPIOPHENONE

There total 6 articles about 4'-CYANO-2,2-DIMETHYLPROPIOPHENONE 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: 50.0%

4-bromobenzenecarbonitrile (623-00-7) + pivaloyl chloride (3282-30-2) → 1-(4-cyanophenyl)-2,2-dimethyl-1-propanone (150009-08-8)

Guidance literature:

4-bromobenzenecarbonitrile; With n-butyllithium; In tetrahydrofuran; hexane; Flow reactor;

pivaloyl chloride; In tetrahydrofuran; hexane; dichloromethane; Flow reactor;

DOI:10.1039/c5ra14890a

Reference yield:

4-cyanobenzoic acid methyl ester (1129-35-7) + tert-butylmagnesium chloride (677-22-5) → methyl 4-tert-butylbenzoate (26537-19-9) + 1-(4-(tert-butyl)phenyl)-2,2-dimethylpropan-1-one (22583-66-0) + 1-(4-cyanophenyl)-2,2-dimethyl-1-propanone (150009-08-8)

Guidance literature:

In tetrahydrofuran; a) -84 deg C, 1h, b) room temperature, 1 h;

Reference yield:

4-cyanobenzoic acid methyl ester (1129-35-7) + tert.-butyl lithium (594-19-4) → methyl 4-tert-butylbenzoate (26537-19-9) + 1-(4-(tert-butyl)phenyl)-2,2-dimethylpropan-1-one (22583-66-0) + 1-(4-cyanophenyl)-2,2-dimethyl-1-propanone (150009-08-8)

Guidance literature:

In tetrahydrofuran; a) -84 deg C, 1h, b) room temperature, 1 h;

upstream raw materials:

4-cyanobenzoic acid methyl ester

tert-butylmagnesium chloride

tert.-butyl lithium

1-(4-bromophenyl)-2,2-dimethylpropan-1-one

Downstream raw materials:

4-Aminobenzonitrile

4-((diphenylmethylene)amino)benzonitrile

3-Nitro-benzenesulfonic acid 1-(4-cyano-phenyl)-2,2-dimethyl-propyl ester

4-(hydroxy-2,2-dimethylpropyl)-benzonitrile

Refernces

• 1、 McMahon, Kevin,Arnold, Donald R.. "The photochemical nucleophile-olefin combination, aromatic substitution (photo-NOCAS) reaction (Part 4): methanol-olefins, methyl 4-cyanobenzoate". . p. 450 - 468. Retrieved 2007/10/02.