3-(2',4'-DICHLOROPHENYL)-3-OXOPROPANENITRILE

Base Information

• Chemical Name: 3-(2',4'-DICHLOROPHENYL)-3-OXOPROPANENITRILE
• CAS No.: 39528-61-5
• Molecular Formula: C9H5Cl2NO
• Molecular Weight: 214.051
• Hs Code.: 2926909090
• Mol file: 39528-61-5.mol

Synonyms:2,4-Dichlorobenzoylacetonitrile;2,4-Dichlorophenacyl cyanide;

Chemical Property of 3-(2',4'-DICHLOROPHENYL)-3-OXOPROPANENITRILE

Chemical Property:

• Vapor Pressure: 4.31E-05mmHg at 25°C
• Refractive Index: 1.567
• Boiling Point: 350.7 °C at 760 mmHg
• Flash Point: 165.9 °C
• PSA: 40.86000
• Density: 1.383g/cm³
• LogP: 3.08978
• Storage Temp.: 2-8°C

Purity/Quality:

98%min ^*data from raw suppliers

2,4-Dichlorobenzoylacetonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 3-(2',4'-DICHLOROPHENYL)-3-OXOPROPANENITRILE

There total 7 articles about 3-(2',4'-DICHLOROPHENYL)-3-OXOPROPANENITRILE 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%

2,4-dichlorobenzoyl chloride (89-75-8) → 3-(2',4'-dichlorophenyl)-3-oxopropionitrile (39528-61-5)

Guidance literature:

acetonitrile; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.25h;

2,4-dichlorobenzoyl chloride; In tetrahydrofuran; hexane; for 0.666667h;

Reference yield: 87.0%

sodium cyanide (143-33-9,25596-52-5) + 2,4-dichlorophenacyl bromide (2631-72-3) → 3-(2',4'-dichlorophenyl)-3-oxopropionitrile (39528-61-5)

Guidance literature:

DOI:10.1021/ol061542+

Reference yield: 67.0%

methyl 2,4-dichlorobenzoate (35112-28-8) + acetonitrile (75-05-8,26809-02-9) → 3-(2',4'-dichlorophenyl)-3-oxopropionitrile (39528-61-5)

Guidance literature:

With lithium diisopropyl amide; In tetrahydrofuran; at -78 - 20 ℃; for 2h; Inert atmosphere;

DOI:10.1002/chir.22082

upstream raw materials:

ethyl 2,4-dichlorobenzoate

acetonitrile

sodium cyanide

2,4-dichlorophenacyl bromide

Downstream raw materials:

C₉H₇Cl₂NO

3-(2,4-dichlorophenyl)-1,2-oxazol-5-amine

Refernces

• 1、 Vogl, Michael,Brecker, Lothar,Kratzer, Regina,Nidetzky, Bernd. "Candida tenuis xylose reductase catalyzed reduction of aryl ketones for enantioselective synthesis of active oxetine derivatives". . p. 847 - 853,7. Retrieved 2020/07/31.
• 2、 -. "Pyrimidine-based inhibitors of dipeptidyl peptidase IV and methods". Page/Page column 16-17. . Retrieved 2008/06/13.