AKOS 93602

Base Information

• Chemical Name: AKOS 93602
• CAS No.: 40017-83-2
• Molecular Formula: C9H6N2O3
• Molecular Weight: 190.158
• Mol file: 40017-83-2.mol

Synonyms:3-(2-NITROPHENYL)-3-OXOPROPIONITRILE;3-(2-Nitro-phenyl)-3-oxo-propionitril;o-nitrophenacylcyanide;BEN363;3-(2-Nitrophenyl)-3-oxopropionsaeurenitril;o-Nitrophenacylcyanid;

Chemical Property of AKOS 93602

Chemical Property:

• Vapor Pressure: 1.39E-06mmHg at 25°C
• Boiling Point: 399.2°Cat760mmHg
• Flash Point: 195.2°C
• PSA: 86.68000
• Density: 1.332g/cm³
• LogP: 2.21438

Purity/Quality:

99% ^*data from raw suppliers

3-(2-NITROPHENYL)-3-OXOPROPANENITRILE 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of AKOS 93602

There total 8 articles about AKOS 93602 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: 69.0%

methyl 2-nitrobenzoate (606-27-9) + acetonitrile (75-05-8,26809-02-9) → 3-(2-Nitrophenyl)-3-oxopropionsaeurenitril (40017-83-2)

Guidance literature:

acetonitrile; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 1h; Sealed tube; Inert atmosphere;

methyl 2-nitrobenzoate; In tetrahydrofuran; hexane; at -45 ℃; for 3.25h; Sealed tube; Inert atmosphere;

DOI:10.1021/acs.orglett.0c03011

Reference yield: 67.0%

(Z)-2-Cyano-3-hydroxy-3-(2-nitrophenyl)acrylsaeureethylester (141342-35-0) → 3-(2-Nitrophenyl)-3-oxopropionsaeurenitril (40017-83-2)

Guidance literature:

With water; for 6h; Heating;

DOI:10.1002/prac.19923340114

Reference yield:

2-Cyano-3-(2-nitro-phenyl)-3-oxo-propionic acid tert-butyl ester → 3-(2-Nitrophenyl)-3-oxopropionsaeurenitril (40017-83-2)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; for 18h; Yield given; Heating;

DOI:10.1055/s-1997-1186

upstream raw materials:

2-cyano-3-(2-nitro-phenyl)-3-oxo-propionic acid ethyl ester

potassium cyanide

2-bromo-1-(2-nitrophenyl)ethanone

(Z)-2-Cyano-3-hydroxy-3-(2-nitrophenyl)acrylsaeureethylester

Downstream raw materials:

C₁₃H₁₃N₃O₃

3-(2-hydroxyamino-phenyl)-3-oxo-propionitrile

4-oxo-2-phenyl-1,4-dihydroquinoline-3-carbonitrile

C₁₁H₁₀N₄