Benzonitrile, 4-(4-oxo-4H-1-benzopyran-2-yl)- (9CI)

Base Information

• Chemical Name: Benzonitrile, 4-(4-oxo-4H-1-benzopyran-2-yl)- (9CI)
• CAS No.: 55736-88-4
• Molecular Formula: C16H9NO2
• Molecular Weight: 247.253
• Mol file: 55736-88-4.mol

Synonyms:Benzonitrile, 4-(4-oxo-4H-1-benzopyran-2-yl)- (9CI)

Chemical Property of Benzonitrile, 4-(4-oxo-4H-1-benzopyran-2-yl)- (9CI)

Chemical Property:

• PSA: 54.00000
• LogP: 3.33168

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzonitrile, 4-(4-oxo-4H-1-benzopyran-2-yl)- (9CI)

There total 5 articles about Benzonitrile, 4-(4-oxo-4H-1-benzopyran-2-yl)- (9CI) 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: 85.0%

1-phenyl-2-hydroxyethanone (582-24-1) + 4-cyanobenzaldehyde (105-07-7) → 4-(4-oxo-4H-chromen-2-yl)benzonitrile (55736-88-4)

Guidance literature:

With 1-ethyl-3-methylimidazolium chromate; oxygen; In hexan-1-ol; at 90 ℃; for 2h; under 3000.3 Torr;

Reference yield: 75.0%

carbon monoxide (201230-82-2) + 4-bromobenzenecarbonitrile (623-00-7) + o-hydroxyacetophenone (118-93-4,104809-67-8) → 4-(4-oxo-4H-chromen-2-yl)benzonitrile (55736-88-4)

Guidance literature:

With palladium diacetate; 1,8-diazabicyclo[5.4.0]undec-7-ene; 1,4-di(diphenylphosphino)-butane; In dimethyl sulfoxide; at 120 ℃; for 16h; under 3750.38 Torr; Autoclave;

DOI:10.1002/chem.201202141

Reference yield: 73.0%

4'-bromoflavone (20525-20-6) + potassium ferrocyanide → 4-(4-oxo-4H-chromen-2-yl)benzonitrile (55736-88-4)

Guidance literature:

With copper(l) iodide; per-6-amino-β-cyclodextrin; sodium carbonate; potassium iodide; In N,N-dimethyl-formamide; at 130 ℃; for 36h; Microwave irradiation;

DOI:10.1039/c2nj40556c

upstream raw materials:

carbon monoxide

4-bromobenzenecarbonitrile

o-hydroxyacetophenone

4'-bromoflavone

Downstream raw materials:

4-(4-oxo-4H-chromen-2-yl)benzoic acid

Refernces

• 1、 Badavath, Vishnu N.,Jadav, Surender S.,Pastorino, Boris,De Lamballerie, Xavier,Sinha, Barij N.,Jayaprakash, Venkatesan. "Synthesis and antiviral activity of 2-aryl-4H-chromen-4-one derivatives against Chikungunya virus". . p. 1019 - 1024. Retrieved 2016/11/25.
• 2、 Nayak, Badavath Vishnu,Ciftci-Yabanoglu,Bhakat, Soumendranath,Timiri, Ajay Kumar,Sinha, Barij N.,Ucar,Soliman, Mahmoud E. S.,Jayaprakash, Venkatesan. "Monoamine oxidase inhibitory activity of 2-aryl-4H-chromen-4-ones". . p. 72 - 80. Retrieved 2015/02/19.