3-Phenylcinnoline

Base Information

• Chemical Name: 3-Phenylcinnoline
• CAS No.: 10604-22-5
• Molecular Formula: C14H10 N2
• Molecular Weight: 206.247
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID3073391
• Nikkaji Number: J81.527F
• Wikidata: Q82001797
• Mol file: 10604-22-5.mol

Synonyms:3-Phenylcinnoline;10604-22-5;Cinnoline, 3-phenyl-;phenyl-cinnoline;Maybridge3_004163;SCHEMBL3923106;DTXSID3073391;HMS1442N05;AKOS024259564;CCG-246328;IDI1_015550;LS-54289;A927669

Chemical Property of 3-Phenylcinnoline

Chemical Property:

• Vapor Pressure: 1.07E-05mmHg at 25°C
• Boiling Point: 382°Cat760mmHg
• Flash Point: 175.8°C
• PSA: 25.78000
• Density: 1.176g/cm³
• LogP: 3.29680
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 206.084398327
• Heavy Atom Count: 16
• Complexity: 223

Purity/Quality:

97% ^*data from raw suppliers

3-Phenylcinnoline 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC3=CC=CC=C3N=N2

Technology Process of 3-Phenylcinnoline

There total 45 articles about 3-Phenylcinnoline 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: 97.0%

diethyl (2-(2-(2-fluorophenyl)-1-phenylethylidene)hydrazinyl)phosphonate → 3-phenylcinnoline (10604-22-5)

Guidance literature:

With copper(II) acetate monohydrate; In toluene; at 110 ℃; for 2h; Reagent/catalyst;

DOI:10.1002/adsc.201700669

Reference yield: 94.0%

diethyl (2-(1,2-diphenylethylidene)hydrazinyl)phosphonate → 3-phenylcinnoline (10604-22-5)

Guidance literature:

With copper(II) acetate monohydrate; In toluene; at 110 ℃; for 11h; Reagent/catalyst; Solvent; Temperature;

DOI:10.1002/adsc.201700669

Reference yield: 91.0%

2-methyl-3-phenylcinnolinium tetrafluoroborate → 3-phenylcinnoline (10604-22-5)

Guidance literature:

With pyridine; at 140 ℃; for 8h;

DOI:10.1002/chem.201300155

upstream raw materials:

5-amino-3-phenylcinnoline

3-phenylcinnolin-4(1H)-one

C₁₅H₁₅⁽²⁾HN₂

2-(N-methyl-N-phenylhydrazono)-2-phenylacetaldehyde

Downstream raw materials:

4-hydroxy-3-phenylcinnoline