1,2,4-Oxadiazole-5(2H)-thione, 3-pyrazinyl-

Base Information

• Chemical Name: 1,2,4-Oxadiazole-5(2H)-thione, 3-pyrazinyl-
• CAS No.: 345631-79-0
• Molecular Formula: C6H4N4OS
• Molecular Weight: 180.1872
• DSSTox Substance ID: DTXSID10188106
• Nikkaji Number: J1.541.951B
• ChEMBL ID: CHEMBL287090

Synonyms:1,2,4-Oxadiazole-5(2H)-thione, 3-pyrazinyl-;345631-79-0;CHEMBL287090;DTXSID10188106;AKOS012253996;3-pyrazin-2-yl-4H-1,2,4-oxadiazole-5-thione;3-(2-Pyrazinyl)-1,2,4-oxadiazole-5(4H)-thione

Chemical Property of 1,2,4-Oxadiazole-5(2H)-thione, 3-pyrazinyl-

Chemical Property:

• Vapor Pressure: 0.00284mmHg at 25°C
• Boiling Point: 285.2°Cat760mmHg
• Flash Point: 126.3°C
• Density: 1.69g/cm³
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 180.01058194
• Heavy Atom Count: 12
• Complexity: 230

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=C(C=N1)C2=NC(=S)ON2

Technology Process of 1,2,4-Oxadiazole-5(2H)-thione, 3-pyrazinyl-

There total 2 articles about 1,2,4-Oxadiazole-5(2H)-thione, 3-pyrazinyl- 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: 89.0%

N'-hydroxypyrazine-2-carboximidamide (51285-05-3) + 1,1'-Thiocarbonyldiimidazole (6160-65-2) → 3-pyrazin-2-yl-4H-[1,2,4]oxadiazole-5-thione (345631-79-0)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; at 20 ℃;

DOI:10.1021/jm000350w

Reference yield:

2-pyrazine carbonitrile (19847-12-2) → 3-pyrazin-2-yl-4H-[1,2,4]oxadiazole-5-thione (345631-79-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 97 percent / aq. NH₂OH*HCl; Na₂CO₃ / ethanol / 5 h / 70 °C

2: 89 percent / DBU / acetonitrile / 20 °C

With hydroxylamine hydrochloride; sodium carbonate; 1,8-diazabicyclo[5.4.0]undec-7-ene; In ethanol; acetonitrile;

DOI:10.1021/jm000350w

Reference yield: 84.0%

Chloromethyl pivalate (18997-19-8) + 3-pyrazin-2-yl-4H-[1,2,4]oxadiazole-5-thione (345631-79-0) → 2,2-dimethyl-propionic acid 3-pyrazin-2-yl-[1,2,4]oxadiazol-5-ylsulfanylmethyl ester

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide; at 20 - 50 ℃; for 25.5h;

DOI:10.1021/jm000350w

upstream raw materials:

N'-hydroxypyrazine-2-carboximidamide

1,1'-Thiocarbonyldiimidazole

2-pyrazine carbonitrile

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