2-Methyl-4-nitropyridine

Base Information

• Chemical Name: 2-Methyl-4-nitropyridine
• CAS No.: 13508-96-8
• Molecular Formula: C6H6N2O2
• Molecular Weight: 138.126
• Hs Code.: 29333990
• European Community (EC) Number: 640-476-2
• NSC Number: 170691
• UNII: P7PGU7WKN5
• DSSTox Substance ID: DTXSID00159244
• Nikkaji Number: J991.621K
• Wikidata: Q72493773
• Mol file: 13508-96-8.mol

Synonyms:2-Methyl-4-nitropyridine;13508-96-8;4-Nitro-2-picoline;Pyridine, 2-methyl-4-nitro-;4-nitro-2-methylpyridine;MFCD03095077;P7PGU7WKN5;NSC-170691;2-methyl-4-nitro-pyridine;NSC170691;NSC 170691;UNII-P7PGU7WKN5;Pyridine, 2-methyl-4-nitro;SCHEMBL2144876;DTXSID00159244;STK695162;2-Methyl-4-nitropyridine, AldrichCPR;AKOS000278194;AKOS015967008;AC-3188;CS-W003020;PB24788;DS-10545;SY005034;AM20050781;FT-0612057;EN300-67784;AF-399/40658939;Q-101517

Chemical Property of 2-Methyl-4-nitropyridine

Chemical Property:

• Appearance/Colour: yellow solid
• Vapor Pressure: 0.0554mmHg at 25°C
• Melting Point: 88-91oC
• Refractive Index: 1.558
• Boiling Point: 241.5 °C at 760 mmHg
• PKA: 2.04±0.10(Predicted)
• Flash Point: 99.9 °C
• PSA: 58.71000
• Density: 1.246 g/cm³
• LogP: 1.82140
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: Chloroform, Dichloromethane
• XLogP3: 0.9
• 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% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-41
• Safety Statements: 26-39-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC=CC(=C1)[N+](=O)[O-]
• Uses: 2-Methyl-4-nitropyridine (cas# 13508-96-8) is a compound useful in organic synthesis.

Technology Process of 2-Methyl-4-nitropyridine

There total 2 articles about 2-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: 100.0%

2-methyl-4-nitropyridine N-oxide (5470-66-6) → 2-methyl-4-nitro-pyridine (13508-96-8)

Guidance literature:

With methyloxorhenium(V)(2-(mercaptomethyl)thiophenolate) triphenylphosphine; triphenylphosphine; In benzene; at 20 ℃; for 5h;

DOI:10.1021/ol006595k

Reference yield:

2-methyl-4-nitropyridine N-oxide (5470-66-6) + chloroform (67-66-3,8013-54-5) + phosphorus trichloride (7719-12-2,52843-90-0) → 2-methyl-4-nitro-pyridine (13508-96-8)

Guidance literature:

Reference yield: 100.0%

2-methyl-4-nitro-pyridine (13508-96-8) → 3-methyl-4-pyridinamine (18437-58-6)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol; at 20 ℃; for 5h;

DOI:10.1055/s-0029-1218002

upstream raw materials:

2-methyl-4-nitropyridine N-oxide

chloroform

phosphorus trichloride

Downstream raw materials:

4-bromo-2-methylpyridine

4-nitropyridine-2-carboxylic acid

3-Benzenesulfonylmethyl-2-methyl-4-nitro-pyridine

3-Benzenesulfonylmethyl-4-methoxy-2-methyl-pyridine

Refernces

• 1、 Wang, Ying,Espenson, James H.. "Efficient catalytic conversion of pyridine N-oxides to pyridine with an oxorhenium(V) catalyst". . p. 3525 - 3526. Retrieved 2007/10/03.
• 2、 Heathcock, Clayton H.,Brown, Richard C. D.,Norman, Thea C.. "Synthesis of Petrosins C and D". . p. 5013 - 5030. Retrieved 2007/10/03.