3-Hydroxypyrazine-2-carbonitrile

Base Information

• Chemical Name: 3-Hydroxypyrazine-2-carbonitrile
• CAS No.: 81411-78-1
• Molecular Formula: C₅H₃N₃O
• Molecular Weight: 121.098
• DSSTox Substance ID: DTXSID90512809
• Wikidata: Q72465871
• Mol file: 81411-78-1.mol

Synonyms:3-hydroxypyrazine-2-carbonitrile;81411-78-1;3-oxo-3,4-dihydropyrazine-2-carbonitrile;2-oxo-1H-pyrazine-3-carbonitrile;cyanopyrazinone;starbld0031491;3,4-DIHYDRO-3-OXO-2-PYRAZINECARBONITRILE;SCHEMBL1558807;SCHEMBL14626138;DTXSID90512809;RDCUCJMNMLUNLB-UHFFFAOYSA-N;AKOS011978766;AB60492;2-Pyrazinecarbonitrile, 3,4-dihydro-3-oxo;AM20070389;CS-0377269;FT-0688623;EN300-265911;3-OXO-3,4-DIHYDRO-2-PYRAZINECARBONITRILE;Z995023286

Chemical Property of 3-Hydroxypyrazine-2-carbonitrile

Chemical Property:

• Melting Point: 192-194℃
• PSA: 69.80000
• Density: 1.38 g/cm³
• LogP: 0.05388
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 121.027611728
• Heavy Atom Count: 9
• Complexity: 242

Purity/Quality:

97% ^*data from raw suppliers

3-oxo-3,4-dihydropyrazine-2-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=C(C(=O)N1)C#N

Technology Process of 3-Hydroxypyrazine-2-carbonitrile

There total 10 articles about 3-Hydroxypyrazine-2-carbonitrile 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: 58.0%

2-amino-3-pyrazinonitrile (25911-65-3) → 3-cyano-2(1H)-pyrazinone (81411-78-1)

Guidance literature:

With sulfuric acid; sodium nitrite; In water; 1) 0 deg C, 1 h, 2) r.t., 3 h;

Reference yield: 54.0%

3-(1,2,4-oxadiazolyl-3)-2(1H)-pyrazinone (83410-12-2) → 3-cyano-2(1H)-pyrazinone (81411-78-1)

Guidance literature:

With formic acid;

DOI:10.1007/BF00809014

Reference yield: 50.0%

formic acid (64-18-6) + 3-aminoisoxazolo(4,5-b)pyrazine (81411-79-2) → 3-cyano-2(1H)-pyrazinone (81411-78-1) + 3-(1,2,4-oxadiazolyl-3)-2(1H)-pyrazinone (83410-12-2)

Guidance literature:

for 0.0833333h; Heating;

DOI:10.1007/BF00809014

upstream raw materials:

2-amino-3-pyrazinonitrile

formic acid

3-aminoisoxazolo(4,5-b)pyrazine

3-(1,2,4-oxadiazolyl-3)-2(1H)-pyrazinone