2-Biphenyl-4-yl-quinoline-4-carboxylic acid

Base Information

• Chemical Name: 2-Biphenyl-4-yl-quinoline-4-carboxylic acid
• CAS No.: 78660-92-1
• Molecular Formula: C22H14NO2-
• Molecular Weight: 325.367
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID70366221
• Wikidata: Q82151351
• Pharos Ligand ID: Y4TKYAQ7LYCU
• ChEMBL ID: CHEMBL3600460
• Mol file: 78660-92-1.mol

Synonyms:78660-92-1;2-Biphenyl-4-yl-quinoline-4-carboxylic acid;2-(4-phenylphenyl)quinoline-4-carboxylic acid;2-([1,1'-Biphenyl]-4-yl)quinoline-4-carboxylic acid;2-Biphenyl-4-ylquinoline-4-carboxylic acid;CHEMBL3600460;2-(biphenyl-4-yl)quinoline-4-carboxylic acid;2-[1,1'-biphenyl]-4-yl-4-quinolinecarboxylic acid;2-{[1,1'-BIPHENYL]-4-YL}QUINOLINE-4-CARBOXYLIC ACID;4-Quinolinecarboxylic acid, 2-[1,1'-biphenyl]-4-yl-;Oprea1_116762;Oprea1_582922;SCHEMBL2467110;DTXSID70366221;BBL013766;BDBM50461864;MFCD00178257;STK386180;AKOS000114783;SB72706;VS-03994;CS-0307453;FT-0641687;EN300-00801;A839468;AK-968/15359254;SR-01000412387;2-(1,1'-biphenyl-4-yl)quinoline-4-carboxylic acid;SR-01000412387-1;2-([1,1'-Biphenyl]-4-yl)quinoline-4-carboxylicacid;Z56792715

Chemical Property of 2-Biphenyl-4-yl-quinoline-4-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.02E-13mmHg at 25°C
• Boiling Point: 567.5°C at 760 mmHg
• Flash Point: 297°C
• PSA: 50.19000
• Density: 1.252g/cm³
• LogP: 5.26700
• XLogP3: 5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 325.110278721
• Heavy Atom Count: 25
• Complexity: 451

Purity/Quality:

97% ^*data from raw suppliers

2-Biphenyl-4-ylquinoline-4-carboxylic acid ^*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=CC=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)O

Technology Process of 2-Biphenyl-4-yl-quinoline-4-carboxylic acid

There total 8 articles about 2-Biphenyl-4-yl-quinoline-4-carboxylic acid 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: 98.0%

2-(4-iodo-phenyl)-quinoline-4-carboxylic acid (312943-44-5) + phenylboronic acid (98-80-6) → 2-([1,1'-biphenyl]-4-yl)quinoline-4-carboxylic acid (78660-92-1)

Guidance literature:

With potassium hydroxide; In water; at 20 ℃; for 20h;

DOI:10.1055/s-2008-1078430

Reference yield: 90.0%

biphenyl-4-acetaldehyde (92-91-1) + indole-2,3-dione (91-56-5,1186480-61-4,84788-92-1) → 2-([1,1'-biphenyl]-4-yl)quinoline-4-carboxylic acid (78660-92-1)

Guidance literature:

biphenyl-4-acetaldehyde; indole-2,3-dione; With sodium hydroxide; Heating;

With acetic acid; for 0.5h;

DOI:10.1002/ardp.200390016

Reference yield: 57.0%

3-(2-Biphenyl-4-yl-2-oxo-ethyl)-3-hydroxy-1,3-dihydro-indol-2-one (78660-87-4) → 2-([1,1'-biphenyl]-4-yl)quinoline-4-carboxylic acid (78660-92-1)

Guidance literature:

With sulfuric acid; In acetic acid; for 20h; Heating;

DOI:10.1007/BF00758458

upstream raw materials:

biphenyl-4-acetaldehyde

indole-2,3-dione

3-(2-Biphenyl-4-yl-2-oxo-ethyl)-3-hydroxy-1,3-dihydro-indol-2-one

2-(4-iodo-phenyl)-quinoline-4-carboxylic acid

Downstream raw materials:

methyl 2-([1,1'-biphenyl]-4-yl)quinoline-4-carboxylate

2-biphenyl-4-yl-quinoline-4-carboxylic acid 2-amino-ethyl ester

2-biphenyl-4-yl-quinoline-4-carboxylic acid hydrazide