Pyridine-2-carboxamide 1-oxide

Base Information

• Chemical Name: Pyridine-2-carboxamide 1-oxide
• CAS No.: 6974-72-7
• Molecular Formula: C6H6 N2 O2
• Molecular Weight: 138.126
• European Community (EC) Number: 230-223-0
• NSC Number: 18388
• Nikkaji Number: J266.028H
• Mol file: 6974-72-7.mol

Synonyms:Pyridine-2-carboxamide 1-oxide;6974-72-7;1-oxidopyridin-1-ium-2-carboxamide;NSC18388;Picolinamide 1-oxide;Pyridine-2-carboxamide-N-oxide;SCHEMBL2833136;EINECS 230-223-0;NSC-18388;2-CARBAMOYLPYRIDIN-1-IUM-1-OLATE;AJ-333/25006152

Chemical Property of Pyridine-2-carboxamide 1-oxide

Chemical Property:

• Vapor Pressure: 1.05E-10mmHg at 25°C
• Boiling Point: 514.7°Cat760mmHg
• Flash Point: 265.1°C
• PSA: 68.55000
• Density: 1.34g/cm³
• LogP: 0.91430
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 138.042927438
• Heavy Atom Count: 10
• Complexity: 138

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Pyridine-2-carboxamide 1-oxide

There total 9 articles about Pyridine-2-carboxamide 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: 98.0%

pyridine-2-carboxylic acid amide (1452-77-3) → 2-pyridinecarboxamide 1-oxide (6974-72-7)

Guidance literature:

With titanium silicate; dihydrogen peroxide; In methanol; at 60 ℃; for 24h;

Reference yield: 45.7%

4-methylpyridine-1-oxide (1003-67-4) → (E)-2-pyridinecarbaldehyde 1-oxide oxime (24145-28-6) + 2-pyridinecarboxamide 1-oxide (6974-72-7)

Guidance literature:

With sodium amide; isopentyl nitrite; In ammonia; Ambient temperature;

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;

upstream raw materials:

pyridine-2-carboxylic acid amide

1-oxy-pyridine-2-carboxylic acid methyl ester

4-methylpyridine-1-oxide

2-methylpyridine N-oxide

Downstream raw materials:

2-aminopyridine N-oxide

2-cyanopyridine N-oxide

C₂₇H₂₂N₆O₄S₂

pyridine-2-carboxylic acid amide

Refernces

• 1、 Prasad, M. Ramakrishna,Kamalakar, G.,Madhavi, G.,Kulkarni, S. J.,Raghavan, K. V.. "An efficient synthesis of heterocyclic N-oxides over molecular sieve catalyst". . p. 1577 - 1578. Retrieved 2007/10/03.
• 2、 Tagawa, Yoshinobu,Hama, Kazuya,Goto, Yoshinobu. "REINVESTIGATION OF NITROSATION OF METHYLPYRIDINES AND THEIR 1-OXIDES AND DEOXYGENATION OF 3-PYRIDINECARBALDEHYDE 1-OXIDE OXIME". . p. 1605 - 1612. Retrieved 2007/10/02.