Oxazole-2-carbonitrile

Base Information

• Chemical Name: Oxazole-2-carbonitrile
• CAS No.: 68776-60-3
• Molecular Formula: C4H2N2O
• Molecular Weight: 94.0727
• Hs Code.: 2934999090
• European Community (EC) Number: 812-392-8
• ChEMBL ID: CHEMBL4532061
• DSSTox Substance ID: DTXSID30600193
• Wikidata: Q82496160
• Mol file: 68776-60-3.mol

Synonyms:Oxazole-2-carbonitrile;68776-60-3;2-Cyano-oxazole;2-OXAZOLECARBONITRILE;1,3-oxazole-2-carbonitrile;2-cyanooxazole;MFCD08669511;cyanooxazole;CHEMBL4532061;DTXSID30600193;UUAXDPHPSHEGQQ-UHFFFAOYSA-N;AKOS006282958;AM85873;AC-30983;DB-003744;CS-0103521;A922902

Chemical Property of Oxazole-2-carbonitrile

Chemical Property:

• Boiling Point: 165.7 °C at 760 mmHg
• PKA: -3.49±0.10(Predicted)
• Flash Point: 54 °C
• PSA: 49.82000
• Density: 1.25 g/cm³
• LogP: 0.54628
• Storage Temp.: 2-8°C
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 94.016712692
• Heavy Atom Count: 7
• Complexity: 104

Purity/Quality:

97% ^*data from raw suppliers

2-Cyano-oxazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=COC(=N1)C#N

Technology Process of Oxazole-2-carbonitrile

There total 1 articles about Oxazole-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:

→ trichlorophosphate (10025-87-3,12599-09-6,63736-95-8,39380-77-3) + 1,3-oxazole-2-carbonitrile (68776-60-3)

Guidance literature:

Reference yield: 55.0%

4-flourophenylmagnesium bromide (352-13-6) + 1,3-oxazole-2-carbonitrile (68776-60-3) → C16H12F2N2O

Guidance literature:

4-flourophenylmagnesium bromide; 1,3-oxazole-2-carbonitrile; In tetrahydrofuran; at 0 - 20 ℃; for 1h; Schlenk technique; Glovebox; Inert atmosphere;

With titanium(IV) isopropylate; In tetrahydrofuran; at 60 ℃; for 18h; regioselective reaction; Schlenk technique; Glovebox; Inert atmosphere;

DOI:10.1002/chem.201503732

Reference yield:

2-amino-5-benzylthiophene-3-carbonitrile (364596-21-4) + 1,3-oxazole-2-carbonitrile (68776-60-3) → C16H12N4OS (1431558-33-6)

Guidance literature:

With potassium tert-butylate; In 1,4-dioxane; at 100 ℃;

DOI:10.1016/j.bmcl.2013.02.078

Downstream raw materials:

C₁₆H₁₂N₄OS