2-Chloro-4-methyl-5-nitropyridine

Base Information

• Chemical Name: 2-Chloro-4-methyl-5-nitropyridine
• CAS No.: 23056-33-9
• Molecular Formula: C6H5ClN2O2
• Molecular Weight: 172.571
• Hs Code.: 29333999
• European Community (EC) Number: 626-547-0
• NSC Number: 402978
• DSSTox Substance ID: DTXSID90323073
• Nikkaji Number: J1.761.274C
• Wikidata: Q72454400
• Mol file: 23056-33-9.mol

Synonyms:2-chloro-4-methyl-5-nitropyridine

Chemical Property of 2-Chloro-4-methyl-5-nitropyridine

Chemical Property:

• Appearance/Colour: light cream to light brown crystalline powder
• Vapor Pressure: 0.0621mmHg at 25°C
• Melting Point: 37-39 °C(lit.)
• Refractive Index: 1.571
• Boiling Point: 237.1 °C at 760 mmHg
• PKA: -3.42±0.10(Predicted)
• Flash Point: 120.9 °C
• PSA: 58.71000
• Density: 1.406 g/cm³
• LogP: 2.47480
• Storage Temp.: Room temperature.
• Solubility.: soluble in Methanol
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 172.0039551
• Heavy Atom Count: 11
• Complexity: 159

Purity/Quality:

99% ^*data from raw suppliers

2-Chloro-4-methyl-5-nitropyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 26-37/39-36/37/39-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NC=C1[N+](=O)[O-])Cl
• Uses: 2-Chloro-4-methyl-5-nitropyridine may be used in chemical synthesis studies.

Technology Process of 2-Chloro-4-methyl-5-nitropyridine

There total 6 articles about 2-Chloro-4-methyl-5-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: 95.0%

4-methyl-5-nitropyridin-2(1H)-one (21901-41-7) → 2-chloro-4-methyl-5-nitro-pyridine (23056-33-9) + 5-Methoxy-1H-pyrrolo[2,3-c]pyridine (17288-53-8)

Guidance literature:

With thionyl chloride; In N-methyl-acetamide; dichloromethane; toluene;

Reference yield: 86.0%

2-hydroxy-4-methyl-5-nitropyridine (21901-41-7) → 2-chloro-4-methyl-5-nitro-pyridine (23056-33-9)

Guidance literature:

With phosphorus pentachloride; trichlorophosphate; at 150 ℃; for 2h;

Reference yield: 20.0%

2-amino-5-nitro-4-picoline (21901-40-6) → 2-chloro-4-methyl-5-nitro-pyridine (23056-33-9)

Guidance literature:

With copper dichloride; In N,N-dimethyl-formamide; at 60 - 110 ℃; for 16.5h;

upstream raw materials:

2-hydroxy-4-methyl-5-nitropyridine

2-amino-5-nitro-4-picoline

2-Amino-4-methylpyridine

4-methyl-5-nitropyridin-2(1H)-one

Downstream raw materials:

4-methyl-5-nitro-[2,3]bipyridinyl

4-methyl-5-nitro-2-pyridinethiol

5-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridine

5-pyridin-3-yl-1,3-dihydro-pyrrolo[2,3-c]pyridin-2-one

Refernces

• 1、 Sklepari, Meropi,Lougiakis, Nikolaos,Papastathopoulos, Athanasios,Pouli, Nicole,Marakos, Panagiotis,Myrianthopoulos, Vassilios,Robert, Thomas,Bach, Stéphane,Mikros, Emmanuel,Ruchaud, Sandrine. "Synthesis, docking study and kinase inhibitory activity of a number of new substituted pyrazolo[3,4-c]pyridines". . p. 66 - 81. Retrieved 2017/01/06.
• 2、 Giannouli, Vassiliki,Lougiakis, Nikolaos,Kostakis, Ioannis K.,Pouli, Nicole,Marakos, Panagiotis,Skaltsounis, Alexios-Leandros,Nam, Sangkil,Jove, Richard,Horne, David,Tenta, Roxane,Pratsinis, Harris,Kletsas, Dimitris. "The discovery of new cytotoxic pyrazolopyridine derivatives". . p. 5229 - 5233. Retrieved 2016/11/02.