3-Methyl-4-nitropyridine

Base Information

• Chemical Name: 3-Methyl-4-nitropyridine
• CAS No.: 1678-53-1
• Molecular Formula: C6H6N2O2
• Molecular Weight: 138.126
• Hs Code.: 2933399090
• European Community (EC) Number: 879-274-6
• DSSTox Substance ID: DTXSID60168372
• Nikkaji Number: J1.726.548B
• Wikidata: Q72493788
• Mol file: 1678-53-1.mol

Synonyms:3-Picoline,4-nitro- (6CI,7CI,8CI);

Chemical Property of 3-Methyl-4-nitropyridine

Chemical Property:

• Appearance/Colour: Light yellow powder
• Vapor Pressure: 0.0481mmHg at 25°C
• Melting Point: 246 °C
• Refractive Index: 1.558
• Boiling Point: 244.2 °C at 760 mmHg
• PKA: 1.61±0.18(Predicted)
• Flash Point: 101.5 °C
• PSA: 58.71000
• Density: 1.246 g/cm³
• LogP: 1.82140
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 138.042927438
• Heavy Atom Count: 10
• Complexity: 132

Purity/Quality:

99.0%Min ^*data from raw suppliers

4-Nitro-3-picolineHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Methyl-4-nitropyridine

There total 4 articles about 3-Methyl-4-nitropyridine 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: 81.0%

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

Guidance literature:

With phosphorus trichloride; for 3.5h; T < 0 deg C;

DOI:10.1016/S0040-4020(01)80387-2

Reference yield:

3-picoline-N-oxide (1003-73-2) → 4-nitro-3-methylpyridine (1678-53-1)

Guidance literature:

Multi-step reaction with 2 steps

1: HNO₃/H₂SO₄

2: PCl₃ / CH₂Cl₂

With sulfuric acid; nitric acid; phosphorus trichloride; In dichloromethane;

DOI:10.1016/0022-328X(95)05979-Y

Reference yield:

4-amino-3-methylpyridine (1990-90-5,953018-16-1) → 4-nitro-3-methylpyridine (1678-53-1)

Guidance literature:

With sulfuric acid; sulfur trioxide; dihydrogen peroxide;

DOI:10.1021/ja01641a016

upstream raw materials:

4-amino-3-methylpyridine

3-methyl-4-nitropyridine N-oxide

3-picoline-N-oxide

Downstream raw materials:

3-Methyl-5-nitro-1H-pyridin-4-one

3-methyl-4-nitropyridine N-oxide

N-(3-methyl-[4]pyridyl)-formamide

2-(1-Benzenesulfonyl-1H-pyrrolo<3,2-c>pyridine)-4-(3-diethylaminocarbonyl-2-methoxypyridyl)-1,1-ethanol

Refernces

• 1、 Dormoy, Jean-Robert,Heymes, Alain. "-". . p. 2885 - 2914. Retrieved 2007/10/02.