2-Phenylbenzo[h]quinoline-4-carboxylic acid

Base Information

• Chemical Name: 2-Phenylbenzo[h]quinoline-4-carboxylic acid
• CAS No.: 5278-87-5
• Molecular Formula: C18H18O2T4
• Molecular Weight: 299.329
• NSC Number: 112373
• DSSTox Substance ID: DTXSID50296870
• Wikidata: Q82037667
• ChEMBL ID: CHEMBL3627925

Synonyms:5278-87-5;2-Phenylbenzo[h]quinoline-4-carboxylic acid;2-Phenyl-7,8-benzocinchoninic acid;CHEMBL3627925;DTXSID50296870;DULGCYHBYNNEPB-UHFFFAOYSA-N;NSC112373;NSC-112373;2-Phenylbenzo[h]quinoline-4-carboxylic acid #

Chemical Property of 2-Phenylbenzo[h]quinoline-4-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.25E-12mmHg at 25°C
• Boiling Point: 543.2°C at 760 mmHg
• Flash Point: 14 °C
• Density: 1.308g/cm³
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 299.094628657
• Heavy Atom Count: 23
• Complexity: 431

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NC3=C(C=CC4=CC=CC=C43)C(=C2)C(=O)O

Technology Process of 2-Phenylbenzo[h]quinoline-4-carboxylic acid

There total 3 articles about 2-Phenylbenzo[h]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: 87.0%

1-amino-naphthalene (134-32-7) + benzaldehyde (100-52-7) + 2-oxo-propionic acid (127-17-3) → 2-phenylbenzo[h]quinoline-4-carboxylic acid (5278-87-5)

Guidance literature:

With phosphate-bearing SiO₂ anchored on nano-Fe₃O₄ nanocatalyst; In neat (no solvent); at 80 ℃; for 0.583333h;

DOI:10.1016/j.mcat.2020.110924

Reference yield:

6,7-benzoisatin (5353-96-8) + acetophenone (98-86-2) → 2-phenylbenzo[h]quinoline-4-carboxylic acid (5278-87-5)

Guidance literature:

With potassium hydroxide;

Reference yield:

→ 2-phenylbenzo[h]quinoline-4-carboxylic acid (5278-87-5)

Guidance literature:

1-Naphthylamin, Benzaldehyd, Brenztraubensaeure;

upstream raw materials:

6,7-benzoisatin

acetophenone

1-amino-naphthalene

benzaldehyde

Downstream raw materials:

ethyl 2-phenylbenzo[h]quinoline-4-carboxylate

benzoic acid

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