5-(Tert-butyl)pyrazine-2,3-dicarbonitrile

Base Information

• Chemical Name: 5-(Tert-butyl)pyrazine-2,3-dicarbonitrile
• CAS No.: 51440-69-8
• Molecular Formula: C10H10N4
• Molecular Weight: 186.21300
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70356288
• Nikkaji Number: J1.044.947B
• Wikidata: Q82135551
• Mol file: 51440-69-8.mol

Synonyms:5-(tert-butyl)pyrazine-2,3-dicarbonitrile;51440-69-8;5-tert-butylpyrazine-2,3-dicarbonitrile;SCHEMBL19436411;DTXSID70356288;5-tert-Butyl-2,3-Dicyanopyrazine;5-t-butyl-2,3-pyrazinedicarbonitrile;AKOS006292720;5-tert-butyl-2,3-pyrazinedicarbonitrile;A847939;AQ-917/42754615

Chemical Property of 5-(Tert-butyl)pyrazine-2,3-dicarbonitrile

Chemical Property:

• Boiling Point: 344.2±42.0 °C(Predicted)
• PKA: -6.92±0.10(Predicted)
• PSA: 73.36000
• Density: 1.15±0.1 g/cm3(Predicted)
• LogP: 1.51746
• Storage Temp.: 2-8°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 186.090546336
• Heavy Atom Count: 14
• Complexity: 297

Purity/Quality:

97% ^*data from raw suppliers

5-(tert-Butyl)pyrazine-2,3-dicarbonitrile 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-(Tert-butyl)pyrazine-2,3-dicarbonitrile

There total 6 articles about 5-(Tert-butyl)pyrazine-2,3-dicarbonitrile 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: 94.0%

pyrazine-2,3-dicarbonitrile (13481-25-9) + Trimethylacetic acid (75-98-9) → 5-(tert-butyl)pyrazine-2,3-dicarbonitrile (51440-69-8)

Guidance literature:

With ammonium persulfate; silver nitrate; In water; acetonitrile; for 6h; Heating;

Reference yield: 80.0%

pyrazine-2,3-dicarbonitrile (13481-25-9) + 1,3-Dimethyllumazine (13401-18-8) + Trimethylacetic acid (75-98-9) → 7-tert-Butyl-1,3-dimethyllumazin (94591-38-5) + 5-(tert-butyl)pyrazine-2,3-dicarbonitrile (51440-69-8)

Guidance literature:

With ammonium persulfate; silver nitrate; In water; acetonitrile; for 6h; Product distribution; Mechanism; Heating; competitive reaction;

Reference yield: 49.0%

t-butylglyoxal (4480-47-1) + 2,3-diaminomaleonitrile (18514-52-8) → 5-(tert-butyl)pyrazine-2,3-dicarbonitrile (51440-69-8)

Guidance literature:

With toluene-4-sulfonic acid; In methanol; for 3h; Reflux;

DOI:10.1007/s10847-017-0735-3

upstream raw materials:

pyrazine-2,3-dicarbonitrile

1,3-Dimethyllumazine

Trimethylacetic acid

t-butylglyoxal