Methyl 2-hydroxy-3-nitrobenzoate

Base Information

• Chemical Name: Methyl 2-hydroxy-3-nitrobenzoate
• CAS No.: 22621-41-6
• Molecular Formula: C8H7NO5
• Molecular Weight: 197.147
• Hs Code.: 29189990
• European Community (EC) Number: 923-922-3
• DSSTox Substance ID: DTXSID50344441
• Nikkaji Number: J102.234B
• Wikidata: Q82116331
• Mol file: 22621-41-6.mol

Synonyms:Methyl 2-hydroxy-3-nitrobenzoate;22621-41-6;Methyl 3-nitrosalicylate;MFCD00272263;Benzoic acid, 2-hydroxy-3-nitro-, methyl ester;2-hydroxy-3-nitrobenzoic acid methyl ester;Salicylic acid, 3-nitro-, methyl ester;2-hydroxy-3-nitro-benzoic acid methyl ester;Methyl-3-nitrosalicylat;methyl-m-nitrosalicylate;SCHEMBL391265;3-Nitro-salicylsauremethylester;DTXSID50344441;methyl-2-hydroxy-3-nitrobenzoate;3-Nitrosalicylic acid methyl ester;Methyl 2-hydroxy-3-nitro-benzoate;Methyl 2-hydroxy-3-nitrobenzoate #;AC2395;BBL102172;STL555971;AKOS016003813;AM86778;CS-W010571;SY005031;FT-0688205;M2864;EN300-192491;A816289;Z1255383410

Chemical Property of Methyl 2-hydroxy-3-nitrobenzoate

Chemical Property:

• Vapor Pressure: 0.00612mmHg at 25°C
• Melting Point: 127-132 °C
• Boiling Point: 263.9 °C at 760 mmHg
• PKA: 6.85±0.24(Predicted)
• Flash Point: 113.4 °C
• PSA: 92.35000
• Density: 1.432 g/cm³
• LogP: 1.61020
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.9
• 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-NitrosalicylicAcidMethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38-22
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])O
• Uses: 3-Nitrosalicylic Acid Methyl Ester is an derivative of 3-Nitrosalicylic acid (N520905), which has been shown to bind to Molybdenum to impart fertility to soil and water and is a key element in the activity of nitrogenase.

Technology Process of Methyl 2-hydroxy-3-nitrobenzoate

There total 16 articles about Methyl 2-hydroxy-3-nitrobenzoate 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: 99.6%

3-nitrosalicylic acid (85-38-1) + dimethyl sulfate (77-78-1) → 2-hydroxy-3-nitro-benzoic acid methyl ester (22621-41-6)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃;

Reference yield: 99.0%

3-nitrosalicylic acid (85-38-1) → 2-hydroxy-3-nitro-benzoic acid methyl ester (22621-41-6)

Guidance literature:

With sulfuric acid; In methanol; at 20 ℃; for 36h; Heating / reflux;

Reference yield: 97.0%

methanol (67-56-1) + 3-nitrosalicylic acid (85-38-1) → 2-hydroxy-3-nitro-benzoic acid methyl ester (22621-41-6)

Guidance literature:

With sulfuric acid; In water; at 20 ℃; for 23h; Reflux;

upstream raw materials:

methanol

3-nitrosalicylic acid

methyl salicylate

hydrogenchloride

Downstream raw materials:

2-(benzyloxy)-3-nitrobenzoic acid

3-nitro-2-propoxy-benzoic acid

Methyl-3-nitro-2-p-tolylsulfonyloxybenzoat

2-hydroxy-3-nitrobenzamide

Refernces

• 1、 -. "Compound used as CDK7 kinase inhibitor and application thereof". Paragraph 0216; 0222-0223. . Retrieved 2021/04/17.
• 2、 -. "As neuroprotective agents of pharmaceutical compounds". Paragraph 0100; 0101; 0102-0104. . Retrieved 2019/06/26.