3-Methoxy-2-nitrobenzoic acid

Base Information

• Chemical Name: 3-Methoxy-2-nitrobenzoic acid
• CAS No.: 4920-80-3
• Molecular Formula: C8H7NO5
• Molecular Weight: 197.147
• Hs Code.: 2918990090
• European Community (EC) Number: 225-549-5
• NSC Number: 609
• DSSTox Substance ID: DTXSID10197718
• Nikkaji Number: J914H
• Wikidata: Q72494957
• Mol file: 4920-80-3.mol

Synonyms:3-Methoxy-2-nitrobenzoic acid;4920-80-3;Benzoic acid, 3-methoxy-2-nitro-;2-Nitro-m-anisic Acid;2-Nitro-3-methoxybenzoic acid;m-Anisic acid, 2-nitro-;3-Methoxy-2-nitrobenzoicacid;MFCD00007143;NSC 609;EINECS 225-549-5;NSC609;SCHEMBL104452;3-methoxy-2-nitro benzoic acid;3-methoxy-2-nitro-benzoic acid;YMOMYSDAOXOCID-UHFFFAOYSA-;DTXSID10197718;NSC-609;CL8090;2 - nitro -3-- methoxybenzoic acid;3-Methoxy-2-nitrobenzoic acid, 96%;AKOS003242115;CS-W008339;AC-28705;AS-17854;BP-12760;SY027418;A7366;AM20040559;FT-0615970;M1036;EN300-90519;J-512752;F1905-7200

Chemical Property of 3-Methoxy-2-nitrobenzoic acid

Chemical Property:

• Appearance/Colour: white to light beige powder
• Vapor Pressure: 1.01E-06mmHg at 25°C
• Melting Point: 253-257 °C(lit.)
• Refractive Index: 1.5700 (estimate)
• Boiling Point: 388.195 °C at 760 mmHg
• PKA: 2.07±0.10(Predicted)
• Flash Point: 188.574 °C
• PSA: 92.35000
• Density: 1.43 g/cm³
• LogP: 1.82480
• Storage Temp.: Store below +30°C.
• Solubility.: soluble in Methanol
• XLogP3: 1.6
• 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% ^*data from raw suppliers

3-Methoxy-2-nitrobenzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 3-Methoxy-2-nitrobenzoic acid

There total 18 articles about 3-Methoxy-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: 67.0%

1-methoxy-3-methyl-2-nitro-benzene (5345-42-6) → 3-methoxy-2-nitrobenzoic acid (4920-80-3)

Guidance literature:

With potassium permanganate; sodium carbonate; In water; for 20h; Inert atmosphere; Reflux;

DOI:10.1021/acs.orglett.8b02221

Reference yield:

3-methyl-2-nitrophenol (4920-77-8) → 3-methoxy-2-nitrobenzoic acid (4920-80-3)

Guidance literature:

Multi-step reaction with 2 steps

1: alkali

2: diluted permanganate

With permanganate(VII) ion;

Reference yield:

methyl 3-methoxy-2-nitrobenzoate (5307-17-5) → 3-methoxy-2-nitrobenzoic acid (4920-80-3)

Guidance literature:

With potassium hydroxide; In methanol; Reflux;

DOI:10.1016/j.catcom.2020.106166

upstream raw materials:

3-methoxy 2-nitrobenzaldehyde

1-methoxy-3-methyl-2-nitro-benzene

3-Methoxybenzoic acid

nitric acid

Downstream raw materials:

2-amino-3-methoxy-N-1H-tetrazol-5-ylbenzamide

3-methoxy-2-nitro-N-1H-tetrazol-5-ylbenzamide

2-(2-carboxyphenylamino)-3-methoxybenzoic acid

N-(5-chloro-2-pyridinyl)-2-nitro-3-methoxyphenylcarboxamide