2-(3-Chlorophenyl)quinoline-4-carboxylic acid

Base Information

• Chemical Name: 2-(3-Chlorophenyl)quinoline-4-carboxylic acid
• CAS No.: 20389-10-0
• Molecular Formula: C16H10ClNO2
• Molecular Weight: 283.714
• Hs Code.: 2933499090
• NSC Number: 123857
• DSSTox Substance ID: DTXSID60298522
• Wikidata: Q82040374
• Mol file: 20389-10-0.mol

Synonyms:20389-10-0;2-(3-chlorophenyl)quinoline-4-carboxylic acid;2-(3-chlorophenyl)-4-quinolinecarboxylic acid;2-(3-Chloro-phenyl)-quinoline-4-carboxylic acid;NSC123857;CBMicro_046560;Oprea1_641115;SCHEMBL1905456;DTXSID60298522;CCG-4089;BBL016543;MFCD02055964;STK424425;AKOS003395836;NSC 123857;NSC-123857;SB68697;NCGC00297004-01;BIM-0046689.P001;CS-0207273;FT-0637990;2-(3-chlorophenyl)quinoline-4-carboxylicacid;4-Quinolinecarboxylicacid,2-(3-chlorophenyl)-;AB00285064-02;3Y-0933;AK-968/15360590;J-505778;878107-42-7

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

Chemical Property:

• Vapor Pressure: 3.74E-10mmHg at 25°C
• Melting Point: 214 °C
• Refractive Index: 1.686
• Boiling Point: 483.334 °C at 760 mmHg
• PKA: 0.88±0.10(Predicted)
• Flash Point: 246.112 °C
• PSA: 50.19000
• Density: 1.374 g/cm³
• LogP: 4.25340
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 283.0400063
• Heavy Atom Count: 20
• Complexity: 362

Purity/Quality:

97% ^*data from raw suppliers

2-(3-Chlorophenyl)-4-quinolinecarboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 4 articles about 2-(3-Chlorophenyl)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: 47.3%

indole-2,3-dione (91-56-5,1186480-61-4,84788-92-1) + 3'-Chloroacetophenone (99-02-5) → 2-(3-chlorophenyl)quinoline-4-carboxylic acid (20389-10-0)

Guidance literature:

With potassium hydroxide; In ethanol; water; at 80 ℃;

DOI:10.1016/j.ejmech.2013.04.001

Reference yield:

aniline (62-53-3) → 2-(3-chlorophenyl)quinoline-4-carboxylic acid (20389-10-0)

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

Reference yield:

hydroxyimino-N-phenylacetamide (42366-35-8,1769-41-1) → 2-(3-chlorophenyl)quinoline-4-carboxylic acid (20389-10-0)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid / 85 °C

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

With sulfuric acid; potassium hydroxide; In ethanol; water;

DOI:10.1016/j.ejmech.2013.04.001

upstream raw materials:

indole-2,3-dione

3'-Chloroacetophenone

aniline

hydroxyimino-N-phenylacetamide

Downstream raw materials:

2-(3-Chloro-phenyl)-quinoline-4-carbonyl chloride

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