2-Methoxy-6-nitrobenzoic Acid

Base Information

• Chemical Name: 2-Methoxy-6-nitrobenzoic Acid
• CAS No.: 53967-73-0
• Molecular Formula: C8H7NO5
• Molecular Weight: 197.147
• Hs Code.: 2918990090
• European Community (EC) Number: 858-970-3
• DSSTox Substance ID: DTXSID80535648
• Wikidata: Q72517222
• Mol file: 53967-73-0.mol

Synonyms:2-Methoxy-6-nitrobenzoic Acid;53967-73-0;2-methoxy-6-nitro-benzoic acid;MFCD00091878;2-Methoxy-6-nitrobenzoicAcid;Benzoic acid, 2-methoxy-6-nitro-;6-methoxy-2-nitrobenzoic acid;SCHEMBL3600729;DTXSID80535648;ORPBIIFFJYJUHR-UHFFFAOYSA-N;AMY20195;AKOS006274903;AC-2923;CS-W002361;DS-16548;SY003354;A829869;J-510166

Chemical Property of 2-Methoxy-6-nitrobenzoic Acid

Chemical Property:

• Vapor Pressure: 2.82E-06mmHg at 25°C
• Melting Point: 180℃
• Refractive Index: 1.588
• Boiling Point: 374.6 °C at 760 mmHg
• PKA: 1.90±0.30(Predicted)
• Flash Point: 180.3 °C
• PSA: 92.35000
• Density: 1.43 g/cm³
• LogP: 1.82480
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 197.03242232
• Heavy Atom Count: 14
• Complexity: 236

Purity/Quality:

98%min ^*data from raw suppliers

2-Methoxy-6-nitrobenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC(=C1C(=O)O)[N+](=O)[O-]

Technology Process of 2-Methoxy-6-nitrobenzoic Acid

There total 10 articles about 2-Methoxy-6-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: 34.0%

6-methoxy-2-nitrotoluene (4837-88-1) → 2-nitro-6-methoxybenzoic acid (53967-73-0)

Guidance literature:

With potassium permanganate; In water; tert-butyl alcohol; at 100 ℃; for 18h;

DOI:10.1021/acsmedchemlett.8b00549

Reference yield:

3-nitro-o-cresol (5460-31-1) → 2-nitro-6-methoxybenzoic acid (53967-73-0)

Guidance literature:

Multi-step reaction with 2 steps

1: K₂CO₃

2: potassium permanganate; water

With potassium permanganate; water; potassium carbonate;

DOI:10.1039/jr9320001792

Reference yield:

2-chloromethyl-3-nitro-anisole (64208-72-6) → 2-nitro-6-methoxybenzoic acid (53967-73-0)

Guidance literature:

With potassium hydroxide; potassium permanganate;

DOI:10.1021/jo01179a003 DOI:10.2165/00002018-200124100-00004

upstream raw materials:

6-methoxy-2-nitrotoluene

2-methoxy-6-nitro-benzoic acid amide

2-chloromethyl-3-nitro-anisole

3-amino-2-methoxy-6-nitro-benzoic acid

Downstream raw materials:

methyl 2-methoxy-6-nitrobenzoate

2-methoxy-6-nitro-benzoic acid ethyl ester

6-methoxyanthranilic acid

2-methoxy-6-nitro-benzoyl chloride