Pyridine-N-oxide

Base Information

• Chemical Name: Pyridine-N-oxide
• CAS No.: 694-59-7
• Deprecated CAS: 110408-34-9
• Molecular Formula: C5H5NO
• Molecular Weight: 95.1008
• Hs Code.: 29333999
• European Community (EC) Number: 211-774-6
• NSC Number: 18250
• UNII: 91F12JJJ4H
• DSSTox Substance ID: DTXSID3061007
• Nikkaji Number: J35.411B
• Wikipedia: Pyridine-N-oxide
• Wikidata: Q287787
• Metabolomics Workbench ID: 54039
• ChEMBL ID: CHEMBL3278446
• Mol file: 694-59-7.mol

Synonyms:pyridine N-oxide;pyridine N-oxide perchlorate

Chemical Property of Pyridine-N-oxide

Chemical Property:

• Appearance/Colour: White to light yellow solid
• Vapor Pressure: 0.0116mmHg at 25°C
• Melting Point: 65-66 °C
• Refractive Index: 1.516
• Boiling Point: 270 °C at 760 mmHg
• PKA: 0.79(at 24℃)
• Flash Point: 117.1 °C
• PSA: 25.46000
• Density: 1.03 g/cm³
• LogP: 1.11510
• Storage Temp.: 2-8°C
• Sensitive.: Hygroscopic
• Water Solubility.: soluble
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 95.037113783
• Heavy Atom Count: 7
• Complexity: 50

Purity/Quality:

99% ^*data from raw suppliers

Pyridine N-Oxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22-40-20/21/22
• Safety Statements: 26-24/25-37/39-36/37/39-22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Amine Oxides
• Canonical SMILES: C1=CC=[N+](C=C1)[O-]
• Uses: Intermediate. Pyridine N-Oxide is a useful reagent for the chemical industry, a mild reoxidant that transforms osmium-catalyzed oxidative cyclization. A catalytic agent.

Technology Process of Pyridine-N-oxide

There total 75 articles about Pyridine-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: 93.0%

2-Picolinic acid (98-98-6) → pyridine N-oxide (694-59-7)

Guidance literature:

With dihydrogen peroxide; In water; at 90 ℃; for 1h;

DOI:10.1080/15533174.2010.522658

Reference yield: 49.0%

pyridine (110-86-1) + Perfluoro-2-hexyl-3-pentyloxaziridine → pyridine N-oxide (694-59-7) + N-(Perfluorohexanoyl)pyridinium-1-aminide

Guidance literature:

In chloroform; trichlorofluoromethane;

DOI:10.1039/p19960002517

Reference yield: 44.0%

pyridine (110-86-1) + perfluoro-cis-2-n-butyl-3-n-propyloxaziridine → pyridine N-oxide (694-59-7) + N-(Perfluorobutanoyl)pyridinium-1-aminide

Guidance literature:

In chloroform; trichlorofluoromethane; at -60 ℃; for 0.5h;

DOI:10.1039/p19960002517

upstream raw materials:

pyridine

monoperoxyphthalic acid

Perbenzoic acid

benzene

Downstream raw materials:

pyridine

[1,2']bipyridinyl-2-one

3-bromo-[1,2']bipyridyl-2-one

2-Pyridone

Refernces

• 1、 Shereshovets, V. V.,Bachanova, L. A.,Dzhemilev, U. M.,Komissarov, V. D.,Tolstikov, G. A.. "REACTIONS OF ORGANIC HYDROTRIOXIDES WITH TERTIARY AMINES". . p. 2263 - 2267. Retrieved 1985.
• 2、 Shereshovets, V. V.,Bachanova, L. A.,Komissarov, V. D.,Vostrikov, N. S.,Tolstikov, G. A.. "SYNTHESIS OF PYRIDINE N-OXIDE WITH THE AID OF ORGANIC HYDROTRIOXIDES". . p. 1716. Retrieved 1982.
• 3、 Wang, Wei-Dong,Espenson, James H.. "Effects of pyridine and its derivatives on the equilibria and kinetics pertaining to epoxidation reactions catalyzed by methyltrioxorhenium". . p. 11335 - 11341. Retrieved 1998.
• 4、 Jiang, Xue,Chen, Mao-Long,Yang, Yu-Chen,Zhou, Zhao-Hui. "Formation and catalytic activity of novel water soluble di[ethylenediaminetetraacetato bis(N-oxido)] lanthanides". . p. 9 - 12. Retrieved 2013.
• 5、 -. "Method for preparing sulfone and N-oxygen compound by using green and efficient oxidation system". Paragraph 0039-0041. . Retrieved 2021/01/29.
• 6、 -. "Method for synthesizing pyridine-N-oxide through catalytic oxidation by continuous non-solvent method". Paragraph 0037-0043. . Retrieved 2020/08/06.