2-Methoxy-6-nitro-alpha-oxobenzenepropanoic acid

Base Information

• Chemical Name: 2-Methoxy-6-nitro-alpha-oxobenzenepropanoic acid
• CAS No.: 4837-89-2
• Molecular Formula: C₁₀H₉NO₆
• Molecular Weight: 239.185
• DSSTox Substance ID: DTXSID301259182
• Mol file: 4837-89-2.mol

Synonyms:2-Methoxy-6-nitro-alpha-oxobenzenepropanoic acid;DTXSID301259182;4837-89-2

Chemical Property of 2-Methoxy-6-nitro-alpha-oxobenzenepropanoic acid

Chemical Property:

• 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:

Useful:

• Canonical SMILES: COC1=CC=CC(=C1CC(=O)C(=O)O)[N+](=O)[O-]

Technology Process of 2-Methoxy-6-nitro-alpha-oxobenzenepropanoic acid

There total 4 articles about 2-Methoxy-6-nitro-alpha-oxobenzenepropanoic 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:

6-methoxy-2-nitrotoluene (4837-88-1) → pyruvic acid (4837-89-2)

Guidance literature:

Multi-step reaction with 2 steps

1: EtOK / ethanol / Heating

2: aq. HCl

With hydrogenchloride; potassium ethoxide; In ethanol;

DOI:10.1021/jm00400a009

Reference yield:

3-(2-Methoxy-6-nitro-phenyl)-2-oxo-propionic acid ethyl ester (301155-92-0) → pyruvic acid (4837-89-2)

Guidance literature:

With hydrogenchloride;

DOI:10.1021/jm00400a009

Reference yield:

6-methoxy-2-nitrotoluene (4837-88-1) + oxalic acid diethyl ester (95-92-1) → pyruvic acid (4837-89-2)

Guidance literature:

With diethyl ether; potassium ethoxide;

upstream raw materials:

6-methoxy-2-nitrotoluene

oxalic acid diethyl ester

3-(2-Methoxy-6-nitro-phenyl)-2-oxo-propionic acid ethyl ester

Downstream raw materials:

4-methoxy-1H-indole-2-carboxylic acid

2-(2-methoxy-6-nitrophenyl)acetic acid

methyl 4-methoxy-1-methyl-1H-indole-2-carboxylate

methyl 4-methoxy-1H-indole-2-carboxylate