3-Hydroxy-4-methyl-5-nitrobenzoic acid

Base Information

• Chemical Name: 3-Hydroxy-4-methyl-5-nitrobenzoic acid
• CAS No.: 54591-64-9
• Molecular Formula: C8H7NO5
• Molecular Weight: 197.147
• Mol file: 54591-64-9.mol

Synonyms:Benzoic acid,3-hydroxy-4-methyl-5-nitro;5-Nitro-3,4-cresotic acid;

Chemical Property of 3-Hydroxy-4-methyl-5-nitrobenzoic acid

Chemical Property:

• PSA: 103.35000
• LogP: 1.83020

Purity/Quality:

3-Hydroxy-4-methyl-5-nitro-benzoicacid 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-Hydroxy-4-methyl-5-nitrobenzoic acid

There total 5 articles about 3-Hydroxy-4-methyl-5-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: 75.0%

3-amino-4-methyl-5-nitrobenzoic acid (54591-62-7) → 3-hydroxy-4-methyl-5-nitrobenzoic acid (54591-64-9)

Guidance literature:

With sulfuric acid; water; sodium nitrite; at 0 - 90 ℃; for 5.5h; Inert atmosphere;

DOI:10.1002/chem.201003489

Reference yield: 63.0%

Methyl 3-fluoro-4-methyl-5-nitro-benzoate (1057652-89-7) → 3-hydroxy-4-methyl-5-nitrobenzoic acid (54591-64-9)

Guidance literature:

With sulfuric acid; sodium nitrite; In water; at 0 ℃; Reflux;

DOI:10.1016/j.bmcl.2011.10.021

Reference yield:

3,5-dinitro-p-toluic acid (16533-71-4) → 3-hydroxy-4-methyl-5-nitrobenzoic acid (54591-64-9)

Guidance literature:

Multi-step reaction with 2 steps

1: diammonium sulfide / ethanol; water / 10.25 h / 80 °C / Inert atmosphere

2: sulfuric acid; water; sodium nitrite / 5.5 h / 0 - 90 °C / Inert atmosphere

With diammonium sulfide; sulfuric acid; water; sodium nitrite; In ethanol; water;

DOI:10.1002/chem.201003489

upstream raw materials:

3-amino-4-methyl-5-nitrobenzoic acid

3,5-dinitro-p-toluic acid

Methyl 3-fluoro-4-methyl-5-nitro-benzoate

methyl 4-methyl-3,5-dinitrobenzoate

Downstream raw materials:

3-hydroxy-4-methyl-5-nitrobenzoic acid methyl ester

methyl 3-amino-5-methoxymethoxy-4-methylbenzoate

methyl 3-methoxymethyloxy-4-methyl-5-nitrobenzene

C₂₆H₃₅NO₅Si