3-Bromo-5-chloropyridine 1-oxide

Base Information

• Chemical Name: 3-Bromo-5-chloropyridine 1-oxide
• CAS No.: 1221793-62-9
• Molecular Formula: C5H3BrClNO
• Molecular Weight: 208.44042
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID20682428
• Wikidata: Q82606814
• Mol file: 1221793-62-9.mol

Synonyms:3-Bromo-5-chloropyridine 1-oxide;1221793-62-9;3-bromo-5-chloro-1-oxidopyridin-1-ium;SCHEMBL8865773;3-Bromo-5-chloropyridine1-oxide;DTXSID20682428;WYB79362;MFCD16036154;AKOS015834439;BS-21260;3-Bromo-5-chloro-1-oxo-1lambda~5~-pyridine;3-BROMO-5-CHLOROPYRIDIN-1-IUM-1-OLATE;A891190

Chemical Property of 3-Bromo-5-chloropyridine 1-oxide

Chemical Property:

• Boiling Point: 365.4±22.0 °C(Predicted)
• PKA: -0.72±0.10(Predicted)
• PSA: 25.46000
• Density: 1.82±0.1 g/cm3(Predicted)
• LogP: 2.53100
• Storage Temp.: Room temperature.
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 206.90865
• Heavy Atom Count: 9
• Complexity: 103

Purity/Quality:

97% ^*data from raw suppliers

3-Bromo-5-chloropyridine1-oxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=[N+](C=C1Br)[O-])Cl

Technology Process of 3-Bromo-5-chloropyridine 1-oxide

There total 1 articles about 3-Bromo-5-chloropyridine 1-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: 97.0%

3-bromo-5-chloropyridine (73583-39-8) → 3-bromo-5-chloropyridine N-oxide (1221793-62-9)

Guidance literature:

With trifluoromethylsulfonic anhydride; urea hydrogen peroxide adduct; In dichloromethane; at 10 - 20 ℃;

DOI:10.1021/acs.joc.9b02785

Reference yield:

3-bromo-5-chloropyridine N-oxide (1221793-62-9) → 5-bromo-2,3-dichloropyridine (97966-00-2) + 3-bromo-2,5-dichloropyridine (138006-41-4)

Guidance literature:

With oxalyl dichloride; triethylamine; In dichloromethane; at -70 ℃; for 0.5h; Overall yield = 74.9 %; Overall yield = 340 mg; regioselective reaction; Inert atmosphere;

DOI:10.1021/acs.orglett.5b01057

upstream raw materials:

3-bromo-5-chloropyridine

Downstream raw materials:

5-bromo-2,3-dichloropyridine

3-bromo-2,5-dichloropyridine