2-Oxo-4-phenyl-2,5-dihydrofuran-3-carbonitrile

Base Information

• Chemical Name: 2-Oxo-4-phenyl-2,5-dihydrofuran-3-carbonitrile
• CAS No.: 7692-89-9
• Molecular Formula: C11H7NO2
• Molecular Weight: 185.182
• Hs Code.: 2932190090
• DSSTox Substance ID: DTXSID30385019
• Nikkaji Number: J3.495.380E
• Wikidata: Q82177550
• Mol file: 7692-89-9.mol

Synonyms:7692-89-9;2-oxo-4-phenyl-2,5-dihydro-3-furancarbonitrile;2-Oxo-4-phenyl-2,5-dihydrofuran-3-carbonitrile;5-oxo-3-phenyl-2H-furan-4-carbonitrile;Bionet2_000241;SCHEMBL7606460;DTXSID30385019;UVLDKEIZBJSYND-UHFFFAOYSA-N;HMS1364K21;MFCD00100132;AKOS005070940;SB61603;CS-0319444;FT-0636566;J3.495.380E;7D-136;5-oxidanylidene-3-phenyl-2H-furan-4-carbonitrile;A838896;3-Furancarbonitrile, 2,5-dihydro-2-oxo-4-phenyl-;J-510219;2-oxo-4-phenyl-2,5-dihydro-3-furancarbonitrile, AldrichCPR

Chemical Property of 2-Oxo-4-phenyl-2,5-dihydrofuran-3-carbonitrile

Chemical Property:

• Vapor Pressure: 2.19E-06mmHg at 25°C
• Melting Point: 165-167oC
• Boiling Point: 393.1°C at 760 mmHg
• Flash Point: 191.2°C
• PSA: 50.09000
• Density: 1.28g/cm³
• LogP: 1.52058
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 185.047678466
• Heavy Atom Count: 14
• Complexity: 328

Purity/Quality:

97% ^*data from raw suppliers

2-Oxo-4-phenyl-2,5-dihydro-3-furancarbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(=C(C(=O)O1)C#N)C2=CC=CC=C2

Technology Process of 2-Oxo-4-phenyl-2,5-dihydrofuran-3-carbonitrile

There total 2 articles about 2-Oxo-4-phenyl-2,5-dihydrofuran-3-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:

cyanoacetic acid (372-09-8) + α-bromoacetophenone (70-11-1) → 4-phenyl-2-oxo-2,5-dihydrofuran-3-carbonitrile (7692-89-9)

Guidance literature:

With sodium hydroxide; In ethanol; water; for 1h; Reflux;

Reference yield:

→ 4-phenyl-2-oxo-2,5-dihydrofuran-3-carbonitrile (7692-89-9)

Guidance literature:

Cyanessigsaeure, ω-Brom-acetophenon, wss.-aethanol. NaOH, Siedetemp.;

DOI:10.1021/jo01277a042

Reference yield: 86.0%

4-phenyl-2-oxo-2,5-dihydrofuran-3-carbonitrile (7692-89-9) + C23H26O2S2 → 5-((5-((2,6-di-tert-butyl-4H-pyran-4-ylidene)(thiophen-2-yl)methyl)thiophen-2-yl)methylene)-2-oxo-4-phenyl-2,5-dihydrofuran-3-carbonitrile

Guidance literature:

In ethanol; for 48h; Reflux; Inert atmosphere; Darkness;

DOI:10.1016/j.dyepig.2020.108357

upstream raw materials:

cyanoacetic acid

α-bromoacetophenone