Pyridine-d5 N-oxide

Base Information

• Chemical Name: Pyridine-d5 N-oxide
• CAS No.: 19639-76-0
• Molecular Formula: C5D5 N O
• Molecular Weight: 100.061
• European Community (EC) Number: 685-886-2
• DSSTox Substance ID: DTXSID00584118
• Nikkaji Number: J2.177.663G
• Wikidata: Q82475751
• Mol file: 19639-76-0.mol

Synonyms:Pyridine-d5 N-oxide;Pyridine-N-oxide-d5;19639-76-0;2,3,4,5,6-pentadeuterio-1-oxidopyridin-1-ium;DTXSID00584118;Pyridine-d5 N-oxide, 98 atom % D;1-Oxo(~2~H_5_)-1lambda~5~-pyridine;J-012690

Chemical Property of Pyridine-d5 N-oxide

Chemical Property:

• Vapor Pressure: 0.0116mmHg at 25°C
• Melting Point: 61-65 °C(lit.)
• Refractive Index: 1.516
• Boiling Point: 270 °C(lit.)
• Flash Point: 143℃
• PSA: 25.46000
• Density: 1.08g/cm³
• LogP: 1.11510
• Solubility.: Chloroform, Dichloromethane, Methanol
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 100.068497513
• Heavy Atom Count: 7
• Complexity: 50

Purity/Quality:

97% ^*data from raw suppliers

Pyridine-N-oxide-d5 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=[N+](C=C1)[O-]
• Isomeric SMILES: [2H]C1=C(C(=[N+](C(=C1[2H])[2H])[O-])[2H])[2H]
• Uses: Pyridine-N-oxide-d5 (cas# 19639-76-0) is a compound useful in organic synthesis.

Technology Process of Pyridine-d5 N-oxide

There total 3 articles about Pyridine-d5 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: 95.0%

pyridine N-oxide (694-59-7) → [D5]-pyridine-N-oxide (19639-76-0)

Guidance literature:

With water-d2; potassium carbonate; at 190 ℃; for 10h;

DOI:10.1002/jhet.5570440637

Reference yield: 76.0%

perdeuteriopyridine (7291-22-7) → [D5]-pyridine-N-oxide (19639-76-0)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 0 - 20 ℃; for 12h;

DOI:10.1039/c5cc07833d

Reference yield:

→ [D5]-pyridine-N-oxide (19639-76-0)

Guidance literature:

2.6-Dideutero-pyridin-N-oxyd u. 5percentNaOD-D2O b. 180-190grad;

upstream raw materials:

pyridine N-oxide

perdeuteriopyridine

Downstream raw materials:

2-chloropyridine-3,4,5,6-d4

C₁₀H₇⁽²⁾H₄NO₃

(E)-ethyl 3-(N-oxypyridin-2-yl)acrylate

C₁₁H₁₁⁽²⁾H₄NO

Refernces

• 1、 Nobleman, John. "Solid-state NMR spectroscopy study of molecular dynamics of pyridine 1-oxide encapsulated in p-tert-butylcalix[4]arene". . p. 10495 - 10506. Retrieved 2020.
• 2、 Jha, Abadh Kishor,Jain, Nidhi. "The microwave-assisted ortho-alkylation of azine N-oxides with N-tosylhydrazones catalyzed by copper(i) iodide". supporting information. p. 1831 - 1834. Retrieved 2016/02/05.