2-Propylquinoline-4-carboxylic acid

Base Information

• Chemical Name: 2-Propylquinoline-4-carboxylic acid
• CAS No.: 1019-03-0
• Molecular Formula: C13H13NO2
• Molecular Weight: 215.24782
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID50357576
• Wikidata: Q82137533
• ChEMBL ID: CHEMBL1472584
• Mol file: 1019-03-0.mol

Synonyms:2-propylquinoline-4-carboxylic acid;1019-03-0;2-propyl-4-quinolinecarboxylic acid;MLS000531342;Cambridge id 7270977;Oprea1_200991;SCHEMBL1133916;CHEMBL1472584;DTXSID50357576;HMS2445G18;BBL013723;MFCD01325647;STK332727;AKOS003297060;SB68857;SMR000136320;VS-03964;CS-0214723;FT-0683350;EN300-188236;AK-968/40159198;SR-01000256990;SR-01000256990-1;Z275123336

Chemical Property of 2-Propylquinoline-4-carboxylic acid

Chemical Property:

• Vapor Pressure: 7.46E-06mmHg at 25°C
• Boiling Point: 361.4°C at 760 mmHg
• Flash Point: 172.4°C
• PSA: 50.19000
• Density: 1.205g/cm³
• LogP: 2.88550
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 215.094628657
• Heavy Atom Count: 16
• Complexity: 254

Purity/Quality:

97% ^*data from raw suppliers

2-Propylquinoline-4-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=NC2=CC=CC=C2C(=C1)C(=O)O

Technology Process of 2-Propylquinoline-4-carboxylic acid

There total 4 articles about 2-Propylquinoline-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) + 2-Pentanone (107-87-9) → 2-propylquinoline-4-carboxylic acid (1019-03-0) + 3-ethyl-2-methyl-quinoline-4-carboxylic acid

Guidance literature:

With potassium hydroxide;

DOI:10.1039/jr9480000106 DOI:10.1021/ja01647a022

Reference yield:

indole-2,3-dione (91-56-5,1186480-61-4,84788-92-1) + 2-Pentanone (107-87-9) → 2-propylquinoline-4-carboxylic acid (1019-03-0)

Guidance literature:

indole-2,3-dione; With potassium hydroxide; In water; at 20 ℃; for 0.5h;

2-Pentanone; In water; at 80 ℃; for 9h;

DOI:10.1002/jhet.3050

Reference yield:

butyraldehyde (123-72-8) + 2-oxo-propionic acid (127-17-3) + aniline (62-53-3) → 2-propylquinoline-4-carboxylic acid (1019-03-0)

Guidance literature:

upstream raw materials:

indole-2,3-dione

2-Pentanone

butyraldehyde

2-oxo-propionic acid

Downstream raw materials:

2-propylquinoline-4-carbohydrazide