4,4'-Bipyridine, 1-oxide

Base Information

• Chemical Name: 4,4'-Bipyridine, 1-oxide
• CAS No.: 39182-30-4
• Molecular Formula: C10H8N2O
• Molecular Weight: 172.186
• DSSTox Substance ID: DTXSID20486145
• Nikkaji Number: J780.143B
• Mol file: 39182-30-4.mol

Synonyms:4,4'-Bipyridine, 1-oxide;39182-30-4;[4,4'-Bipyridine] 1-oxide;4,4'-dipyridyl N-oxide;4,4'-bipyridine-1-oxide;SCHEMBL5254585;DTXSID20486145;JDNWJNJHGZHYNE-UHFFFAOYSA-N;10.14272/JDNWJNJHGZHYNE-UHFFFAOYSA-N.1;doi:10.14272/JDNWJNJHGZHYNE-UHFFFAOYSA-N.1

Chemical Property of 4,4'-Bipyridine, 1-oxide

Chemical Property:

• Melting Point: 170-171 °C
• Boiling Point: 428.9±28.0 °C(Predicted)
• PSA: 38.35000
• Density: 1.15±0.1 g/cm3(Predicted)
• LogP: 2.17710
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 172.063662883
• Heavy Atom Count: 13
• Complexity: 149

Purity/Quality:

99% ^*data from raw suppliers

4-(4-Pyridinyl)pyridine1-oxide 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC=C1C2=CC=[N+](C=C2)[O-]

Technology Process of 4,4'-Bipyridine, 1-oxide

There total 11 articles about 4,4'-Bipyridine, 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: 70.0%

4-bromopyridine-1-oxide (14248-50-1) + 4-trimethylstannyl-pyridine (59020-06-3) → 4,4'-bipyridine N-monoxide (39182-30-4)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In xylene; for 6h; Heating;

DOI:10.3987/COM-94-S4-1

Reference yield: 63.0%

4,4'-bipyridine (553-26-4) → 4,4'-bipyridine N-monoxide (39182-30-4)

Guidance literature:

With dihydrogen peroxide; acetic acid; at 70 ℃; for 24h;

DOI:10.1002/ejic.201201233 DOI:10.1002/ejic.201601230

Reference yield: 55.0%

4,4'-bipyridine (553-26-4) → 4,4'-bipyridine N,N'-dioxide (24573-15-7) + 4,4'-bipyridine N-monoxide (39182-30-4)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In chloroform; for 480h; Ambient temperature;

DOI:10.1002/(SICI)1099-0682(199806)1998:6<771::AID-EJIC771>3.0.CO;2-Y

upstream raw materials:

4-chloropyridine N-oxide

4,4'-bipyridine

4-bromopyridine-1-oxide

4-trimethylstannyl-pyridine

Downstream raw materials:

1-Benzyl-1'-oxy-[4,4']bipyridinyl-1-ium; bromide

4,4'-bipyridine

4-(piperidin-4-yl)pyridine

4-(2-chloropyridin-4-yl)pyridine