Pyrazine 1-oxide

Base Information

• Chemical Name: Pyrazine 1-oxide
• CAS No.: 2423-65-6
• Molecular Formula: C4H4N2O
• Molecular Weight: 96.0886
• Hs Code.: 2933990090
• European Community (EC) Number: 625-801-8
• NSC Number: 341054
• DSSTox Substance ID: DTXSID90178924
• Nikkaji Number: J151.450D
• Wikidata: Q83049436
• Mol file: 2423-65-6.mol

Synonyms:Pyrazine 1-oxide;Pyrazine N-oxide;2423-65-6;1-oxidopyrazin-1-ium;Pyrazine, 1-oxide;Pyrazine-1-oxide;Pyrazine1-oxide;pyrazin-1-ium-1-olate;Pyrazine,1-oxide;NSC341054;Pyrazine N-oxide, 97%;DTXSID90178924;AMY20726;MFCD00190582;AKOS015901779;NSC-341054;FT-0689917;O12055;J-015406

Chemical Property of Pyrazine 1-oxide

Chemical Property:

• Vapor Pressure: 0.000201mmHg at 25°C
• Melting Point: 112-116 °C
• Refractive Index: 1.564
• Boiling Point: 337.8 °C at 760 mmHg
• PKA: 0.45±0.39(Predicted)
• Flash Point: 158.1 °C
• PSA: 38.35000
• Density: 1.19 g/cm³
• LogP: 0.51010
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 96.032362755
• Heavy Atom Count: 7
• Complexity: 51.7

Purity/Quality:

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

Pyrazine1-oxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xn
• Hazard Codes: F,Xn
• Statements: 11-22-37/38-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Pyrazine 1-oxide

There total 2 articles about Pyrazine 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: 97.0%

1,4-pyrazine (290-37-9) → Pyrazin-N-Oxid(PyzNO) (2423-65-6)

Guidance literature:

With acetonitrile complex of hypofluorous acid; In dichloromethane; at 0 ℃;

DOI:10.1021/acs.orglett.7b02310

Reference yield:

→ Pyrazin-N-Oxid(PyzNO) (2423-65-6)

Guidance literature:

Pyrazin, H2O2;

Reference yield: 96.0%

Pyrazin-N-Oxid(PyzNO) (2423-65-6) + 2-Bromo-5-fluorotoluene (452-63-1) → 2-(4-fluoro-2-methylphenyl)pyrazine 1-oxide

Guidance literature:

With potassium carbonate; tri tert-butylphosphoniumtetrafluoroborate; palladium diacetate; In 1,4-dioxane; at 110 ℃;

DOI:10.1002/anie.200602773

upstream raw materials:

1,4-pyrazine

Downstream raw materials:

2-pyrazine carbonitrile

2-(4-Methoxybenzylthio)pyrazine

2-chloropyrazin

2-Aminopyrazine

Refernces

• 1、 Ham, Won Seok,Choi, Hoonchul,Zhang, Jianbo,Kim, Dongwook,Chang, Sukbok. "C2-Selective, Functional-Group-Divergent Amination of Pyrimidines by Enthalpy-Controlled Nucleophilic Functionalization". supporting information. p. 2885 - 2892. Retrieved 2022/02/23.
• 2、 Schie?l, Jasmin,Stein, Philipp M.,Stirn, Judith,Emler, Kirsten,Rudolph, Matthias,Rominger, Frank,Hashmi, A. Stephen K.. "Strategic Approach on N-Oxides in Gold Catalysis – A Case Study". supporting information. p. 725 - 738. Retrieved 2018/10/20.