5-Chloro-3-fluoro-2-nitropyridine

Base Information

• Chemical Name: 5-Chloro-3-fluoro-2-nitropyridine
• CAS No.: 1064783-29-4
• Molecular Formula: C5H2ClFN2O2
• Molecular Weight: 176.534
• European Community (EC) Number: 870-917-6
• DSSTox Substance ID: DTXSID20701623
• Wikidata: Q72451003
• Mol file: 1064783-29-4.mol

Synonyms:5-Chloro-3-fluoro-2-nitropyridine;1064783-29-4;MFCD19690192;SCHEMBL3668043;DTXSID20701623;FUKOQNFWJNNEQO-UHFFFAOYSA-N;5-Chloro-3-fluoro-2-nitropyridin;AKOS016013151;CS-W018984;DS-5168;SY113359;FT-0737686;EN300-6770085;A895817

Chemical Property of 5-Chloro-3-fluoro-2-nitropyridine

Chemical Property:

• Boiling Point: 266.7±35.0 °C(Predicted)
• PKA: -7.31±0.32(Predicted)
• PSA: 58.71000
• Density: 1.595±0.06 g/cm3(Predicted)
• LogP: 2.30550
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 175.9788832
• Heavy Atom Count: 11
• Complexity: 163

Purity/Quality:

NLT 98% ^*data from raw suppliers

5-Chloro-3-fluoro-2-nitropyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=NC(=C1F)[N+](=O)[O-])Cl

Technology Process of 5-Chloro-3-fluoro-2-nitropyridine

There total 2 articles about 5-Chloro-3-fluoro-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: 54.0%

5-chloro-3-fluoro-pyridine-2-amine (246847-98-3) → 5-chloro-3-fluoro-2-nitropyridine (1064783-29-4)

Guidance literature:

5-chloro-3-fluoro-pyridine-2-amine; With potassium thiosulfate; sulfuric acid; In water;

With water; sodium carbonate; pH=8 - 10;

Reference yield:

3,5-dichloro-2-nitropyridine (610278-88-1) → 5-chloro-3-fluoro-2-nitropyridine (1064783-29-4)

Guidance literature:

With sulfuric acid; dihydrogen peroxide; at 0 - 20 ℃; for 16h;

Reference yield: 95.0%

5-chloro-3-fluoro-2-nitropyridine (1064783-29-4) + tert-butyl (S)-(3-(1-hydroxyethyl)phenyl)carbamate → C18H20ClN3O5

Guidance literature:

tert-butyl (S)-(3-(1-hydroxyethyl)phenyl)carbamate; With potassium tert-butylate; In tetrahydrofuran; at 20 ℃; for 0.166667h;

5-chloro-3-fluoro-2-nitropyridine; In tetrahydrofuran; at 20 ℃; for 1h;

upstream raw materials:

5-chloro-3-fluoro-pyridine-2-amine

3,5-dichloro-2-nitropyridine

Refernces

• 1、 -. "HETEROARYL COMPOUNDS AS KINASE INHIBITOR". Page/Page column 44-45. . Retrieved 2019/10/04.
• 2、 -. "NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES". Paragraph 1071-1072. . Retrieved 2014/10/29.