3-(5-Methoxy-2-nitrophenyl)-2-oxopropanoic acid

Base Information

• Chemical Name: 3-(5-Methoxy-2-nitrophenyl)-2-oxopropanoic acid
• CAS No.: 82204-34-0
• Molecular Formula: C10H9NO6
• Molecular Weight: 239.185
• NSC Number: 122234
• DSSTox Substance ID: DTXSID60298284
• Nikkaji Number: J1.631.009C
• Wikidata: Q82040008
• Mol file: 82204-34-0.mol

Synonyms:3-(5-methoxy-2-nitrophenyl)-2-oxopropanoic acid;82204-34-0;NSC122234;DTXSID60298284;ARJ103120;AKOS005145209;NSC-122234;EN300-160220

Chemical Property of 3-(5-Methoxy-2-nitrophenyl)-2-oxopropanoic acid

Chemical Property:

• Vapor Pressure: 2.24E-08mmHg at 25°C
• Boiling Point: 436.1°Cat760mmHg
• Flash Point: 217.5°C
• Density: 1.437g/cm³
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 239.04298701
• Heavy Atom Count: 17
• Complexity: 323

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)[N+](=O)[O-])CC(=O)C(=O)O

Technology Process of 3-(5-Methoxy-2-nitrophenyl)-2-oxopropanoic acid

There total 3 articles about 3-(5-Methoxy-2-nitrophenyl)-2-oxopropanoic acid 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:

5-methoxy-2-nitrotoluene (5367-32-8) + oxalic acid diethyl ester (95-92-1) → (5-methoxy-2-nitro-phenyl)-pyruvic acid (82204-34-0)

Guidance literature:

With sodium ethanolate;

Reference yield:

5-methoxy-2-nitrotoluene (5367-32-8) + sodium ethanolate (141-52-6) + oxalic acid diethyl ester (95-92-1) → (5-methoxy-2-nitro-phenyl)-pyruvic acid (82204-34-0)

Guidance literature:

Reference yield:

→ (5-methoxy-2-nitro-phenyl)-pyruvic acid (82204-34-0)

Guidance literature:

/BRN= 2659052/;

upstream raw materials:

5-methoxy-2-nitrotoluene

sodium ethanolate

oxalic acid diethyl ester

Downstream raw materials:

2-(2-amino-5-methoxy-phenyl)-3-(3,4,5-trimethoxy-phenyl)-propionitrile

2-(5-methoxy-2-nitro-phenyl)-3-(3,4,5-trimethoxy-phenyl)-propionitrile

2-(5-methoxy-2-nitrophenyl)acetonitrile

5-methoxy-2-nitrophenylacetaldehyde