4-Methyl-2-nitropyridine

Base Information

• Chemical Name: 4-Methyl-2-nitropyridine
• CAS No.: 18368-71-3
• Molecular Formula: C6H6N2O2
• Molecular Weight: 138.126
• Hs Code.: 2933399090
• European Community (EC) Number: 815-226-2
• NSC Number: 170562
• UNII: HRA6WB9ER9
• DSSTox Substance ID: DTXSID60939741
• Nikkaji Number: J110.485C
• Wikidata: Q72493791
• Mol file: 18368-71-3.mol

Synonyms:4-Methyl-2-nitropyridine;18368-71-3;2-Nitro-4-picoline;4-Picoline, 2-nitro-;Pyridine, 4-methyl-2-nitro-;HRA6WB9ER9;NSC 170562;NSC-170562;4-methyl-2-nitro-pyridine;NSC170562;UNII-HRA6WB9ER9;4-Methyl-2-nitropyridine #;SCHEMBL5632479;DTXSID60939741;BAA87880;MFCD04114155;AKOS002664152;GS-5054;SB52396;AM20050901;CS-0153153;FT-0637681;EN300-102154;S10244;A812810;W-206317;Z1198164196

Chemical Property of 4-Methyl-2-nitropyridine

Chemical Property:

• Vapor Pressure: 0.0585mmHg at 25°C
• Melting Point: 61-62 °C(Solv: ethanol (64-17-5); water (7732-18-5))
• Refractive Index: 1.42
• Boiling Point: 283.7 °C at 760 mmHg
• PKA: -1.92±0.20(Predicted)
• Flash Point: 125.4 °C
• PSA: 58.71000
• Density: 1.247 g/cm₃
• LogP: 1.82140
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.1
• 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:

98%,99%, ^*data from raw suppliers

4-Methyl-2-nitropyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Methyl-2-nitropyridine

There total 3 articles about 4-Methyl-2-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: 47.0%

2-Amino-4-methylpyridine (695-34-1) → 4-methyl-2-nitropyridine (18368-71-3)

Guidance literature:

With tert.-butylhydroperoxide; 3 A molecular sieve; zirconium(IV) tert-butoxide; In dichloromethane; for 24h; Ambient temperature;

DOI:10.1002/prac.19973390161

Reference yield:

2-Amino-4-methylpyridine (695-34-1) + sulfuric acid (7664-93-9) + dihydrogen peroxide (7722-84-1) → 4-methyl-2-nitropyridine (18368-71-3)

Guidance literature:

DOI:10.1021/ja01145a539

Reference yield:

→ 4-methyl-2-nitropyridine (18368-71-3)

Guidance literature:

2-Amino-4-methyl-pyridin H2O2/H2SO4;

upstream raw materials:

2-Amino-4-methylpyridine

sulfuric acid

dihydrogen peroxide

Downstream raw materials:

2-Amino-4-methylpyridine

4-methyl-2-nitro-pyridine-1-oxide

(E)-N,N-dimethyl-2-(3-nitropyridin-4-yl)ethenamine

4-methyl-2-nitro-5-(phenylsulfonylmethyl)pyridine

Refernces

• 1、 Krohn, Karsten,Kuepke, Jochen,Rieger, Hagen. "Zirconium-catalysed Oxidation of Primary Aromatic Amines to Nitro Compounds Using tert-Butylhydroperoxide". . p. 335 - 339. Retrieved 2007/10/03.