3-Methyl-4-nitropyridine 1-oxide

Base Information

• Chemical Name: 3-Methyl-4-nitropyridine 1-oxide
• CAS No.: 1074-98-2
• Molecular Formula: C6H6N2O3
• Molecular Weight: 154.125
• Hs Code.: 29333990
• European Community (EC) Number: 214-050-8
• NSC Number: 168202,74203
• UNII: 34OB5D19MK
• DSSTox Substance ID: DTXSID10148043
• Wikidata: Q27256375
• ChEMBL ID: CHEMBL1893701
• Mol file: 1074-98-2.mol

Synonyms:3-methyl-4-nitropyridine 1-oxide;5-METHYL-4-NITROPYRIDINE N-OXIDE

Chemical Property of 3-Methyl-4-nitropyridine 1-oxide

Chemical Property:

• Appearance/Colour: yellow crystalline needles or powder
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 135-139 °C
• Refractive Index: 1.585
• Boiling Point: 383 °C at 760 mmHg
• PKA: -1.22±0.10(Predicted)
• Flash Point: 185.4 °C
• PSA: 71.28000
• Density: 1.36 g/cm³
• LogP: 1.85490
• Storage Temp.: 2-8°C
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 154.03784206
• Heavy Atom Count: 11
• Complexity: 156

Purity/Quality:

99% ^*data from raw suppliers

3-Methyl-4-nitropyridine N-oxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn,Xi
• Statements: 40-20/21/22-36/37/38
• Safety Statements: 45-36/37-36-26-22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C[N+](=C1)[O-])[N+](=O)[O-]

Technology Process of 3-Methyl-4-nitropyridine 1-oxide

There total 6 articles about 3-Methyl-4-nitropyridine 1-oxide 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: 85.0%

3-picoline-N-oxide (1003-73-2) → 3-methyl-4-nitropyridine N-oxide (1074-98-2)

Guidance literature:

With sulfuric acid; nitric acid; at 60 - 80 ℃; for 3h;

DOI:10.3987/COM-14-13036

Reference yield:

3-picoline-N-oxide (1003-73-2) + concentrated NaOH + dichloromethane (75-09-2) → 3-methyl-4-nitropyridine N-oxide (1074-98-2)

Guidance literature:

With sulfuric acid; potassium nitrate; In ethyl acetate;

Reference yield:

4-nitro-3-methylpyridine (1678-53-1) → 3-methyl-4-nitropyridine N-oxide (1074-98-2)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 0 - 20 ℃;

DOI:10.1039/c5ob01900a

upstream raw materials:

3-picoline-N-oxide

sulfuric acid

nitric acid

dichloromethane

Downstream raw materials:

N-(3-methylpyridin-4-yl)acetamide

4-nitro-3-styrylpyridine 1-oxide

4-amino-3-methylpyridine

4-nitro-3-methylpyridine