Methyl (p-nitrobenzoyl)cyanoacetate

Base Information

• Chemical Name: Methyl (p-nitrobenzoyl)cyanoacetate
• CAS No.: 67338-61-8
• Molecular Formula: C11H8N2O5
• Molecular Weight: 248.1916
• DSSTox Substance ID: DTXSID40886825
• Nikkaji Number: J453.369K
• Mol file: 67338-61-8.mol

Synonyms:Methyl (p-nitrobenzoyl)cyanoacetate;67338-61-8;Benzenepropanoic acid, alpha-cyano-4-nitro-beta-oxo-, methyl ester;Benzenepropanoic acid, .alpha.-cyano-4-nitro-.beta.-oxo-, methyl ester;DTXSID40886825;alpha-Cyano-4-nitro-beta-oxobenzenepropanoic acid methyl ester

Chemical Property of Methyl (p-nitrobenzoyl)cyanoacetate

Chemical Property:

• Vapor Pressure: 2.98E-07mmHg at 25°C
• Boiling Point: 419.7°Cat760mmHg
• Flash Point: 207.6°C
• Density: 1.382g/cm³
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 248.04332136
• Heavy Atom Count: 18
• Complexity: 397

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(C#N)C(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Technology Process of Methyl (p-nitrobenzoyl)cyanoacetate

There total 2 articles about Methyl (p-nitrobenzoyl)cyanoacetate 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:

4-nitro-benzoyl chloride (122-04-3) → 2-cyano-3-(4-nitro-phenyl)-3-oxo-propionic acid methyl ester (67338-61-8) + 2-cyano-3-(4-nitro-benzoyloxy)-3-(4-nitro-phenyl)-acrylic acid methyl ester (83291-80-9)

Guidance literature:

With benzene;

Reference yield:

→ 2-cyano-3-(4-nitro-phenyl)-3-oxo-propionic acid methyl ester (67338-61-8)

Guidance literature:

/BRN= 2746460/;

upstream raw materials:

4-nitro-benzoyl chloride