2-Chloro-3-nitropyridine N-oxide

Base Information

• Chemical Name: 2-Chloro-3-nitropyridine N-oxide
• CAS No.: 13198-72-6
• Molecular Formula: C5H3ClN2O3
• Molecular Weight: 174.54200
• DSSTox Substance ID: DTXSID90483247
• Wikidata: Q82320395
• Mol file: 13198-72-6.mol

Synonyms:2-Chloro-3-nitropyridine N-oxide;13198-72-6;2-chloro-3-nitro-1-oxidopyridin-1-ium;SCHEMBL4710545;2-Chloro-Nitropyridine-N-Oxide;DTXSID90483247;WNCNZEROUQXMEE-UHFFFAOYSA-N;2-Chloro-3-nitropyridine-N-oxide;AKOS015966340;FT-0732651

Chemical Property of 2-Chloro-3-nitropyridine N-oxide

Chemical Property:

• PSA: 71.28000
• LogP: 2.19990
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 173.9832197
• Heavy Atom Count: 11
• Complexity: 160

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Chloro-3-nitropyridine N-oxide

There total 2 articles about 2-Chloro-3-nitropyridine N-oxide 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: 76.5%

2-Chloro-3-nitropyridine (5470-18-8,34515-82-7) → 2-Chlor-3-nitropyridin-N-oxid (13198-72-6)

Guidance literature:

With dihydrogen peroxide; trifluoroacetic anhydride; In dichloromethane; 1.) r.t., 4 h, 2.) reflux, 2 h;

DOI:10.1002/ardp.19823151003

Reference yield: 50.0%

→ 2-Chlor-3-nitropyridin-N-oxid (13198-72-6)

Guidance literature:

Reference yield: 90.0%

2-Chlor-3-nitropyridin-N-oxid (13198-72-6) + 4-fluorophenylmagnesium chloride (130387-74-5) → C11H6ClFN2O3 (1422047-21-9)

Guidance literature:

2-Chlor-3-nitropyridin-N-oxid; 4-fluorophenylmagnesium chloride; In tetrahydrofuran; at -50 ℃;

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In tetrahydrofuran; at 20 ℃; for 4h;

DOI:10.1021/jo302511s

upstream raw materials:

2-Chloro-3-nitropyridine

Downstream raw materials:

2-(O-benzylhydroxylamino)-3-nitropyridine 1-oxide

C₁₁H₆ClFN₂O₃