2,6-Dichloro-3-methyl-5-nitropyridine

Base Information

• Chemical Name: 2,6-Dichloro-3-methyl-5-nitropyridine
• CAS No.: 58596-88-6
• Molecular Formula: C6H4Cl2N2O2
• Molecular Weight: 207.01
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID30483105
• Wikidata: Q72466820
• Mol file: 58596-88-6.mol

Synonyms:2,6-DICHLORO-3-METHYL-5-NITROPYRIDINE;58596-88-6;MFCD17014968;Pyridine, 2,6-dichloro-3-methyl-5-nitro-;SCHEMBL1625327;DTXSID30483105;XLKDPPLSOTVMFR-UHFFFAOYSA-N;AKOS015919509;DS-1592;SB13449;2,6-dichloro-5-methyl-3-nitropyridine;AC-25191;SY110950;Pyridine,2,6-dichloro-3-methyl-5-nitro-;CS-0005584;FT-0765730;A23478;2 pound not6-Dichloro-3-methyl-5-nitropyridine;EN300-3274272

Chemical Property of 2,6-Dichloro-3-methyl-5-nitropyridine

Chemical Property:

• Melting Point: 70-71 °C(Solv: cyclohexane (110-82-7))
• Boiling Point: 323.536 °C at 760 mmHg
• PKA: -5.36±0.10(Predicted)
• Flash Point: 149.47 °C
• PSA: 58.71000
• Density: 1.537 g/cm³
• LogP: 3.12820
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 205.9649828
• Heavy Atom Count: 12
• Complexity: 185

Purity/Quality:

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

2,6-dichloro-3-methyl-5-nitropyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(N=C1Cl)Cl)[N+](=O)[O-]

Technology Process of 2,6-Dichloro-3-methyl-5-nitropyridine

There total 10 articles about 2,6-Dichloro-3-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: 81.0%

2-chloro-5-methyl-3-nitropyridine 1-oxide (1241373-24-9) → 2,6-dichloro-3-methyl-5-nitropyridine (58596-88-6)

Guidance literature:

With trichlorophosphate; for 3h; Reflux;

Reference yield: 51.0%

2-chloro-5-methylpyridine-N-oxide (20173-49-3) → 2,6-dichloro-3-methyl-5-nitropyridine (58596-88-6)

Guidance literature:

2-chloro-5-methylpyridine-N-oxide; With triethylamine; trichlorophosphate; In dichloromethane; at 0 - 20 ℃; for 26h;

With sulfuric acid; nitric acid; at 0 - 100 ℃; for 4h;

Reference yield:

2,6-dichloro-3-methylpyridine (58584-94-4) + 2,4-dichloro-5-methylpyridine (56961-78-5) → 2,6-dichloro-3-methyl-5-nitropyridine (58596-88-6)

Guidance literature:

With trifluorormethanesulfonic acid; tetramethylammonium nitrate; In dichloromethane; at 0 - 20 ℃; for 50h; Heating / reflux;

upstream raw materials:

2,6-dichloro-3-methylpyridine

2,4-dichloro-5-methylpyridine

2-chloro-5-methyl-3-nitropyridine 1-oxide

2-chloro-5-methylpyridine-N-oxide

Downstream raw materials:

6-chloro-N-(2-fluoro-4-iodophenyl)-5-methyl-3-nitropyridin-2-amine

6-Chloro-5-methyl-3-nitro-2-(2-oxo-cyclohexyl)-pyridine

6-chloro-5-methyl-3-nitropyridin-2-amine

Refernces

• 1、 Surur, Abdrrahman S.,Bock, Christian,Beirow, Kristin,Wurm, Konrad,Schulig, Lukas,Kindermann, Markus K.,Siegmund, Werner,Bednarski, Patrick J.,Link, Andreas. "Flupirtine and retigabine as templates for ligand-based drug design of KV7.2/3 activators". supporting information. p. 4512 - 4522. Retrieved 2019/05/17.
• 2、 -. "SUBSTITUTED PYRIDINE DERIVATIVES AND THEIR MEDICAL USE". Page/Page column 26. . Retrieved 2010/09/17.