3-Carbamoylpyrazine 1-oxide

Base Information

• Chemical Name: 3-Carbamoylpyrazine 1-oxide
• CAS No.: 768-36-5
• Molecular Formula: C5H5N3O2
• Molecular Weight: 139.114
• Hs Code.: 2933990090
• NSC Number: 140938
• DSSTox Substance ID: DTXSID50227609
• Nikkaji Number: J1.412.813A
• Wikidata: Q83107416
• Mol file: 768-36-5.mol

Synonyms:3-Carbamoylpyrazine 1-oxide;768-36-5;4-oxidopyrazin-4-ium-2-carboxamide;pyrazine-2-carboxamide 4-oxide;2-Pyrazinecarboxamide, 4-oxide;NSC140938;NSC 140938;3-pyrazinecarboxamide 1-oxide;2-Pyrazinecarboxamide 4-oxide;SCHEMBL944797;DTXSID50227609;AKOS006274968;NSC-140938;3-CARBAMOYLPYRAZIN-1-IUM-1-OLATE;AF-615/25002795

Chemical Property of 3-Carbamoylpyrazine 1-oxide

Chemical Property:

• Vapor Pressure: 3.07E-14mmHg at 25°C
• Refractive Index: 1.659
• Boiling Point: 597.5 °C at 760 mmHg
• Flash Point: 315.1 °C
• PSA: 81.44000
• Density: 1.52g/cm³
• LogP: 0.30930
• XLogP3: -2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 139.038176411
• Heavy Atom Count: 10
• Complexity: 139

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-CARBAMOYLPYRAZINE-1-OXIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C[N+](=CC(=N1)C(=O)N)[O-]

Technology Process of 3-Carbamoylpyrazine 1-oxide

There total 4 articles about 3-Carbamoylpyrazine 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: 66.0%

pyrazinamide (98-96-4) → 2-pyrazinecarboxamide-4-oxide (768-36-5)

Guidance literature:

With dihydrogen peroxide; In formic acid; 1) 40-50 deg C, 4 h, 2) 40 deg C, 1 h;

Reference yield:

pyrazinamide (98-96-4) → 2-pyrazinecarboxamide-4-oxide (768-36-5) + 1,4-dioxopyrazinamide (18960-19-5) + 2-Carbamyl-pyrazin-1-oxid (32046-08-5)

Guidance literature:

With dihydrogen peroxide; acetic acid; at 90 ℃; for 6h;

DOI:10.1002/ardp.200700119

Reference yield:

2-pyrazine carbonitrile (19847-12-2) → 2-pyrazinecarboxamide-4-oxide (768-36-5)

Guidance literature:

With dihydrogen peroxide; acetic acid;

DOI:10.1021/ja01134a045

upstream raw materials:

2-pyrazine carbonitrile

pyrazinamide

Downstream raw materials:

N-(6-methoxypyrazin-2-ylmethyl)-4-phenoxybenzenesulfonamide

tert-butyl ((6-chloropyrazin-2-yl)methyl)carbamate

C-(6-methoxypyrazin-2-yl)methylamine

methylester of pyrazinecarboxylic acid 4-oxide

Refernces

• 1、 Palek, Lukas,Dvorak, Jaroslav,Svobodova, Michaela,Buchta, Vladimir,Jampilek, Josef,Dolezal, Martin. "Synthesis, antimycobacterial and antifungal evaluation of 3-arylaminopyrazine-2,5-dicarbonitriles". . p. 61 - 65. Retrieved 2008/12/20.
• 2、 Sato, Nobuhiro. "Studies on Pyrazines. 18 . A New and Convenient Synthesis of 2-Amino-3-cyanopyrazine". . p. 817 - 819. Retrieved 2007/10/02.