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

Base Information

• Chemical Name: 2-(3,4-Dimethylphenyl)quinoline-4-carboxylic acid
• CAS No.: 20389-06-4
• Molecular Formula: C₁₈H₁₅NO₂
• Molecular Weight: 277.323
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID20350110
• Wikidata: Q82125883
• Mol file: 20389-06-4.mol

Synonyms:2-(3,4-dimethylphenyl)quinoline-4-carboxylic acid;20389-06-4;2-(3,4-Dimethylphenyl)quinoline-4-carboxylicacid;2-(3,4-dimethylphenyl)-4-quinolinecarboxylic acid;Oprea1_526327;Oprea1_582347;SCHEMBL8613147;DTXSID20350110;BBL013566;MFCD00851530;STK251718;AKOS000265815;SB71651;NCGC00326433-01;VS-03865;CS-0316362;FT-0707075;AB01321449-02;A814516;SR-01000412456;SR-01000412456-1

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

Chemical Property:

• PSA: 50.19000
• LogP: 4.21680
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 277.110278721
• Heavy Atom Count: 21
• Complexity: 383

Purity/Quality:

98%min ^*data from raw suppliers

2-(3,4-Dimethylphenyl)quinoline-4-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O)C

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

There total 2 articles about 2-(3,4-Dimethylphenyl)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:

indole-2,3-dione (91-56-5,1186480-61-4,84788-92-1) + 3,4-dimethylacetophenone (3637-01-2) → 2-(3,4-dimethyl-phenyl)-quinoline-4-carboxylic acid (20389-06-4)

Guidance literature:

With potassium hydroxide;

DOI:10.1021/jo50015a019

Reference yield:

→ 2-(3,4-dimethyl-phenyl)-quinoline-4-carboxylic acid (20389-06-4)

Guidance literature:

Isatin, wss. A., 3,4-Dimethylacetophenon (1 Mol), KOH, Kochen;

Reference yield:

2-(3,4-dimethyl-phenyl)-quinoline-4-carboxylic acid (20389-06-4) → 2-(3,4-dimethylphenyl)quinoline

Guidance literature:

Auf Temperaturen oberhalb des Schmelzpunkts;

DOI:10.1021/jo50015a019

upstream raw materials:

indole-2,3-dione

3,4-dimethylacetophenone

Refernces