CID 2775764

Base Information

• Chemical Name: CID 2775764
• CAS No.: 3033-94-1
• Molecular Formula: C16H11NO2
• Molecular Weight: 249.269
• DSSTox Substance ID: DTXSID60379683
• Mol file: 3033-94-1.mol

Synonyms:3033-94-1;DTXSID60379683

Chemical Property of CID 2775764

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 249.078978594
• Heavy Atom Count: 19
• Complexity: 385

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)C=CC2=CC=C(C=C2)C#N)O

Technology Process of CID 2775764

There total 2 articles about CID 2775764 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:

o-hydroxyacetophenone (118-93-4,104809-67-8) + 4-cyanobenzaldehyde (105-07-7) → 4-<3-(2-Hydroxy-phenyl)-3-oxo-propen-(1)-yl>-benzonitril (3033-94-1)

Guidance literature:

o-hydroxyacetophenone; With potassium hydroxide; In ethanol; for 0.0833333h;

4-cyanobenzaldehyde; In ethanol; at 20 ℃;

With hydrogenchloride; In ethanol; water; for 2h;

DOI:10.1021/jm900681h

Reference yield:

→ 4-<3-(2-Hydroxy-phenyl)-3-oxo-propen-(1)-yl>-benzonitril (3033-94-1)

Guidance literature:

1-<2-Hydroxy-phenyl>-aethanon-(1), 4-Formyl-benzonitril, A., wss. NaOH;

Reference yield: 86.0%

4-<3-(2-Hydroxy-phenyl)-3-oxo-propen-(1)-yl>-benzonitril (3033-94-1) + 1,2-diamino-benzene (95-54-5) → 4-(4-(2-hydroxyphenyl)-2,3-dihydro-1H-benzo[b][1,4]diazepin-2-yl)benzonitrile

Guidance literature:

With graphite oxide; In neat (no solvent); at 80 ℃; for 0.5h; Temperature; Solvent;

DOI:10.1039/c6gc03110b

upstream raw materials:

o-hydroxyacetophenone

4-cyanobenzaldehyde

Downstream raw materials:

(+/-)-2-[7-(4-cyanophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenol

4-(4-oxo-4H-chromen-2-yl)benzonitrile

4-((3-oxobenzofuran-2(3H)-ylidene)methyl)benzonitrile

Refernces

• 1、 Badavath, Vishnu Nayak,Nath, Chandrani,Ganta, Narayana Murthy,Ucar, Gulberk,Sinha, Barij Nayan,Jayaprakash, Venkatesan. "Design, synthesis and MAO inhibitory activity of 2-(arylmethylidene)-2,3-dihydro-1-benzofuran-3-one derivatives". . p. 1528 - 1532. Retrieved 2017/07/17.
• 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.