2-(3,4-Dichlorophenyl)quinoline-4-carboxylic acid

Base Information

• Chemical Name: 2-(3,4-Dichlorophenyl)quinoline-4-carboxylic acid
• CAS No.: 148887-61-0
• Molecular Formula: C16H9 Cl2 N O2
• Molecular Weight: 318.159
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID10351272
• Nikkaji Number: J1.508.422G
• Wikidata: Q82127554
• ChEMBL ID: CHEMBL150249
• Mol file: 148887-61-0.mol

Synonyms:2-(3,4-dichlorophenyl)quinoline-4-carboxylic acid;148887-61-0;2-(3,4-Dichlorophenyl)-4-quinolinecarboxylic acid;2-(3,4-Dichloro-phenyl)-quinoline-4-carboxylic acid;CHEMBL150249;MFCD01414694;Oprea1_411697;Oprea1_830927;SCHEMBL117357;DTXSID10351272;METUEFNOMUIMQR-UHFFFAOYSA-N;BBL016546;BDBM50097083;STK424517;AKOS000300926;SB72164;NCGC00281303-01;VS-05354;AB01280379-01;2-(3,4-dichlorophenyl)quinoline-4-carboxylicacid;SR-01000520462;SR-01000520462-1;4-Quinolinecarboxylic acid, 2-(3,4-dichlorophenyl)-;2-(3,4-DICHLORO-PHENYL)-QUINOLINE-4-CARBOXYLICACID

Chemical Property of 2-(3,4-Dichlorophenyl)quinoline-4-carboxylic acid

Chemical Property:

• Vapor Pressure: 4.37E-11mmHg at 25°C
• Refractive Index: 1.689
• Boiling Point: 506.6°Cat760mmHg
• Flash Point: 260.2°C
• PSA: 50.19000
• Density: 1.456g/cm³
• LogP: 4.90680
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 317.0010339
• Heavy Atom Count: 21
• Complexity: 393

Purity/Quality:

98%min ^*data from raw suppliers

2-(3,4-Dichlorophenyl)quinoline-4-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CC(=N2)C3=CC(=C(C=C3)Cl)Cl)C(=O)O

Technology Process of 2-(3,4-Dichlorophenyl)quinoline-4-carboxylic acid

There total 4 articles about 2-(3,4-Dichlorophenyl)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: 94.0%

indole-2,3-dione (91-56-5,1186480-61-4,84788-92-1) + 3',4'-dichloroacetophenone (2642-63-9) → 2-(3,4-dichlorophenyl)quinoline-4-carboxylic acid (148887-61-0)

Guidance literature:

With potassium hydroxide; In ethanol; at 50 - 60 ℃; for 14h;

DOI:10.1016/0223-5234(92)90032-V

Reference yield:

indole-2,3-dione (91-56-5,1186480-61-4,84788-92-1) + acetophenone (98-86-2) + 3',4'-dichloroacetophenone (2642-63-9) → 2-(3,4-dichlorophenyl)quinoline-4-carboxylic acid (148887-61-0)

Guidance literature:

With potassium hydroxide; In ethanol; Heating;

DOI:10.1016/S0960-894X(00)00697-1

Reference yield:

aniline (62-53-3) → 2-(3,4-dichlorophenyl)quinoline-4-carboxylic acid (148887-61-0)

Guidance literature:

Multi-step reaction with 3 steps

1: hydrogenchloride; sulfuric acid; sodium sulfate; hydroxylamine hydrochloride / water / 100 °C

2: sulfuric acid / 85 °C

3: potassium hydroxide / ethanol; water / 80 °C

With hydrogenchloride; sulfuric acid; hydroxylamine hydrochloride; sodium sulfate; potassium hydroxide; In ethanol; water;

DOI:10.1016/j.ejmech.2013.04.001

upstream raw materials:

indole-2,3-dione

3',4'-dichloroacetophenone

acetophenone

aniline

Downstream raw materials:

{[2-(3,4-Dichloro-phenyl)-quinoline-4-carbonyl]-methyl-amino}-acetic acid ethyl ester

{[2-(3,4-Dichloro-phenyl)-quinoline-4-carbothioyl]-methyl-amino}-acetic acid ethyl ester

2-(3,4-dichloro-phenyl)-quinoline-4-carbonyl chloride

2-(3,4-dichloro-phenyl)-quinoline-4-carboxylic acid (6-fluoro-pyridin-2-yl)-amide