Quinoline-4-carboxylic acid

Base Information

• Chemical Name: Quinoline-4-carboxylic acid
• CAS No.: 486-74-8
• Molecular Formula: C10H7NO2
• Molecular Weight: 173.171
• Hs Code.: 29334900
• European Community (EC) Number: 207-640-1
• NSC Number: 13138
• UNII: W6V42SQ9E8
• DSSTox Substance ID: DTXSID20197567
• Nikkaji Number: J6.015A
• Wikidata: Q27102986
• Metabolomics Workbench ID: 49845
• ChEMBL ID: CHEMBL4435617
• Mol file: 486-74-8.mol

Synonyms:4-quinolinecarboxylic acid;cinchoninic acid;quinoline-4-carboxylic acid

Chemical Property of Quinoline-4-carboxylic acid

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 1.85E-05mmHg at 25°C
• Melting Point: 254-255 °C(lit.)
• Boiling Point: 348.7 °C at 760 mmHg
• PKA: 1.03±0.10(Predicted)
• Flash Point: 164.7 °C
• PSA: 50.19000
• Density: 1.339 g/cm³
• LogP: 1.93300
• Storage Temp.: 2-8°C
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 173.047678466
• Heavy Atom Count: 13
• Complexity: 205

Purity/Quality:

Quinoline-4-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-36/38
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Quinolines
• Canonical SMILES: C1=CC=C2C(=C1)C(=CC=N2)C(=O)O
• Uses: Quinoline-4-carboxylic Acid for small therapeutic agent compounds.

Technology Process of Quinoline-4-carboxylic acid

There total 90 articles about 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: 100.0%

quinoline-4-carboxaldehyde (4363-93-3) → 4-quinolinic acid (486-74-8)

Guidance literature:

With formic acid; dihydrogen peroxide; at 0 - 4 ℃; for 12h;

DOI:10.1055/s-1993-25851

Reference yield: 89.0%

quinoline-2,4-dicarboxylic acid (5323-57-9) → 4-quinolinic acid (486-74-8)

Guidance literature:

In diphenylether; at 200 - 215 ℃; for 0.25h;

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

Reference yield: 87.0%

C6H4NCH2CHCCH2 (491-35-0) → 4-quinolinic acid (486-74-8)

Guidance literature:

With N-hydroxyphthalimide; air; Nitrogen dioxide; cobalt(II) acetate; manganese(II) acetate; In acetic acid; at 150 ℃; for 5h; under 15201 Torr;

DOI:10.1039/b108880g

upstream raw materials:

cinchonan-9-one

isopentyl nitrite

1-quinolin-4-yl-3-(vinyl-piperidin-4-yl)-propan-1-one

sodium ethanolate

Downstream raw materials:

2-indol-3-yl-quinoline-4-carboxylic acid

3-hydroxyquinoline

3,4-pyridinecarboxylic acid

4-acetylquinoline

Refernces

• 1、 -. "Isoindoline compound, and preparation method, pharmaceutical composition and application thereof". Paragraph 0475; 1159-1161. . Retrieved 2020/04/17.
• 2、 Zhong, Qi-Di,Xue, Yun-Zhou,Yan, Hong,Song, Xiu-Qing,Zhong, Ru-Gang. "Preparation of 4,7-diphenyl-1,10-phenanthroline-2,9-dicarboxylic acid catalyzed by iron(III)porphyrins with (diacetoxyiodo)benzene". body text. p. 5532 - 5535. Retrieved 2010/12/20.