Isonicotinamide 1-oxide

Base Information

• Chemical Name: Isonicotinamide 1-oxide
• CAS No.: 38557-82-3
• Molecular Formula: C6H6N2O2
• Molecular Weight: 138.126
• Hs Code.: 2933399090
• European Community (EC) Number: 253-998-7
• NSC Number: 18386
• UNII: XF3ASU7ZUB
• DSSTox Substance ID: DTXSID00191881
• Nikkaji Number: J294.697A
• Wikidata: Q83064470
• Mol file: 38557-82-3.mol

Synonyms:Isonicotinamide 1-oxide;38557-82-3;4-Pyridinecarboxamide 1-Oxide;1-oxidopyridin-1-ium-4-carboxamide;4-carbamoylpyridin-1-ium-1-olate;NSC-18386;NSC18386;Isonicotinamide oxide;NSC 18386;Isonicotinamide-N-oxide;XF3ASU7ZUB;SCHEMBL2992214;4-Pyridinecarboxamide, 1-oxide;DTXSID00191881;EINECS 253-998-7;AKOS030239818;FT-0674184;A873816

Chemical Property of Isonicotinamide 1-oxide

Chemical Property:

• Vapor Pressure: 1.05E-10mmHg at 25°C
• Melting Point: 286-290°C (dec.)
• Boiling Point: 514.7°Cat760mmHg
• Flash Point: 265.1°C
• PSA: 68.55000
• Density: 1.34g/cm³
• LogP: 0.91430
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly), Water (Slightly)
• XLogP3: -1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 138.042927438
• Heavy Atom Count: 10
• Complexity: 130

Purity/Quality:

98% ^*data from raw suppliers

4-Pyridinecarboxamide 1-oxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C[N+](=CC=C1C(=O)N)[O-]
• Uses: 4-Pyridinecarboxamide 1-Oxide (cas# 38557-82-3) is a compound useful in organic synthesis.

Technology Process of Isonicotinamide 1-oxide

There total 15 articles about Isonicotinamide 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%

N,N-diethylaniline (91-66-7) → 4-pyridine carboxamide 1-oxide (38557-82-3) + N,N-diethylaniline N-oxide (826-42-6)

Guidance literature:

With phthalic anhydride; urea-hydrogen peroxide; In dichloromethane; for 1h; Ambient temperature;

Reference yield: 75.0%

4-cyanopyridine N-oxide (14906-59-3) → 4-pyridine carboxamide 1-oxide (38557-82-3)

Guidance literature:

With nanoferrite-[Ru(OH)x]; In water; at 130 ℃; for 0.5h; Sealed tube; Microwave irradiation;

DOI:10.1039/c2gc36455g

Reference yield: 57.0%

(Z)-(1-oxidopyridin-1-ium-4-yl)-4-carbaldoxime (24145-27-5) → 4-pyridine carboxamide 1-oxide (38557-82-3)

Guidance literature:

With sodium amide; In ammonia; for 24h; Ambient temperature;

upstream raw materials:

ethyl isonicotinate N-oxide

isonicotinamide

4-methylpyridine-1-oxide

pyridine-4-carbonitrile

Downstream raw materials:

C₆H₆N₂O₂*C₁₂H₁₁ClN₂O₅S

Thioisonicotinamid-1-oxid

2-chloropyridine-4-carbothioamide

isonicotinamide

Refernces

• 1、 Sharma, Ashok,Mudgal, Punit K.,Gupta. "Comparative rate study on the oxidation of nicotinamide and isonicotinamide by permanganate in acidic medium". experimental part. p. 920 - 925. Retrieved 2009/12/03.
• 2、 Tagawa, Yoshinobu,Togashi, Hideo,Goto, Yoshinobu. "ELUCIDATION OF THE REACTION PATH FOR THE NITROSATION OF 2- AND 4-METHYLPYRIDINE 1-OXIDES WITH ALKYL NITRITE IN LIQUID AMMONIA". . p. 327 - 336. Retrieved 2007/10/02.