3,4-Dimethoxy-2-nitrobenzoic acid

Base Information

• Chemical Name: 3,4-Dimethoxy-2-nitrobenzoic acid
• CAS No.: 79025-28-8
• Molecular Formula: C9H9NO6
• Molecular Weight: 227.174
• DSSTox Substance ID: DTXSID30361378
• Wikidata: Q72468135
• Mol file: 79025-28-8.mol

Synonyms:3,4-dimethoxy-2-nitrobenzoic acid;79025-28-8;3,4-dimethoxy-2-nitro-benzoic Acid;Nitroveratrumsaure;3,4-Dimethoxy-2-nitrobenzoicacid;Oprea1_391261;SCHEMBL621983;DTXSID30361378;3,4-dimethoxy-2-nitro benzoic acid;MFCD00074884;STK326786;3,4-Dimethoxy-2 -nitro-benzoic acid;AKOS000276813;BS-17549;CS-0145981;FT-0701637;F12437;A929394;SR-01000295639;SR-01000295639-1

Chemical Property of 3,4-Dimethoxy-2-nitrobenzoic acid

Chemical Property:

• Melting Point: 200-202℃
• Density: 1.403
• Storage Temp.: 2-8°C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 227.04298701
• Heavy Atom Count: 16
• Complexity: 276

Purity/Quality:

97% ^*data from raw suppliers

3,4-Dimethoxy-2-nitrobenzoicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,4-Dimethoxy-2-nitrobenzoic acid

There total 15 articles about 3,4-Dimethoxy-2-nitrobenzoic 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: 92.0%

2-nitroveratraldehyde (55149-84-3) → 3,4-Dimethoxy-2-nitro-benzoic acid (79025-28-8)

Guidance literature:

With potassium permanganate;

Reference yield:

(4,5-dimethoxy-2-methyl-3-nitro-phenyl)-hydrazine (861363-56-6) + copper(II) sulfate (7758-99-8) + acetic acid (64-19-7,77671-22-8) → 4,5-dimethoxy-2-nitro-benzoic acid (4998-07-6) + 3,4-Dimethoxy-2-nitro-benzoic acid (79025-28-8)

Guidance literature:

Oxydation des entstandenen Oels mit Permanganat;

Reference yield:

vanillin acetate (881-68-5) + dimethyl sulfate (77-78-1) → 3,4-Dimethoxy-2-nitro-benzoic acid (79025-28-8) + 4,5-Dimethoxy-3-nitrobenzoic acid (91004-48-7)

Guidance literature:

vanillin acetate; With nitric acid; In 1,2-dichloro-ethane; at -20 - 5 ℃;

With methanol; potassium hydroxide; at 25 - 45 ℃;

dimethyl sulfate; Overall yield = 93 percent; Further stages;

upstream raw materials:

2-nitroveratraldehyde

4-methyl-2,3-dinitroanisole

sodium methylate

3,4-dimethoxy-2-nitro-toluene

Downstream raw materials:

3,4-dimethoxy-2-nitro-benzoic acid methyl ester

3,4-dimethoxyanthranilic acid

3,4-dimethoxy-2-nitrobenzoic acid chloride

N,N'-bis-(3,4-dimethoxy-2-nitro-phenyl)-urea