Pyridine-2-carbonitrile 1-oxide

Base Information

• Chemical Name: Pyridine-2-carbonitrile 1-oxide
• CAS No.: 2402-98-4
• Molecular Formula: C6H4 N2 O
• Molecular Weight: 120.111
• Hs Code.: 2933399090
• European Community (EC) Number: 219-286-5
• NSC Number: 99905
• DSSTox Substance ID: DTXSID80178756
• Nikkaji Number: J28.011I
• Wikidata: Q83049230
• Mol file: 2402-98-4.mol

Synonyms:Pyridine-2-carbonitrile 1-oxide;2402-98-4;2-cyanopyridinium-1-olate;2-Cyanopyridine oxide;124463-97-4;1-oxidopyridin-1-ium-2-carbonitrile;2-Cyanopyridine N-oxide;2-Cyanopyridine 1-oxide;Picolinonitrile, 1-oxide;2-Pyridinecarbonitrile,N-oxide(9CI);pyridine-2-carbonitrile1-oxide;2-cyanopyridin-1-ium-1-olate;2-Pyridinecarbonitrile, 1-oxide;2-Pyridinecarbonitrile 1-oxide;SCHEMBL805958;DTXSID80178756;NSC99905;EINECS 219-286-5;MFCD00083061;NSC-99905;J-400298

Chemical Property of Pyridine-2-carbonitrile 1-oxide

Chemical Property:

• Vapor Pressure: 4.63E-06mmHg at 25°C
• Melting Point: 123-124 °C
• Boiling Point: 382.7°Cat760mmHg
• PKA: -1.92±0.10(Predicted)
• Flash Point: 185.3°C
• PSA: 49.25000
• Density: 1.14g/cm³
• LogP: 0.98678
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 120.032362755
• Heavy Atom Count: 9
• Complexity: 137

Purity/Quality:

98% ^*data from raw suppliers

2-Cyanopyridinium-1-olate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Pyridine-2-carbonitrile 1-oxide

There total 5 articles about Pyridine-2-carbonitrile 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: 100.0%

2-Cyanopyridine (100-70-9,1232006-36-8) → 2-cyanopyridine N-oxide (2402-98-4)

Guidance literature:

With dihydrogen peroxide; methyltrioxorhenium(VII); In dichloromethane; water; at 20 ℃; Inert atmosphere;

Reference yield: 40.0%

(Z)-2-pyridinecarbaldehyde 1-oxide oxime (24145-26-4) → pyridine-2-carboxylic acid amide (1452-77-3) + (E)-2-pyridinecarbaldehyde 1-oxide oxime (24145-28-6) + 2-cyanopyridine N-oxide (2402-98-4) + 2-pyridinecarboxamide 1-oxide (6974-72-7)

Guidance literature:

With C₅H₁₁OH; ammonium chloride; sodium amide; isopentyl nitrite; In ammonia; Ambient temperature;

Reference yield:

2-pyridinecarboxamide 1-oxide (6974-72-7) → 2-cyanopyridine N-oxide (2402-98-4)

Guidance literature:

With diatomaceous earth; phosphorus pentoxide; toluene;

DOI:10.1021/jo01359a606

upstream raw materials:

2-Cyanopyridine

2-pyridinecarboxamide 1-oxide

(Z)-2-pyridinecarbaldehyde 1-oxide oxime

pyridine-2-carboxylic acid amide

Downstream raw materials:

6-(4-(4-fluorophenoxy)phenyl)pyridine-2-carbonitrile N-oxide

C₁₃H₁₀N₂O₂

C₁₅H₁₂N₂O₃

C₁₃H₁₀N₂O

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