5-Chloroquinoline-8-carboxylic acid

Base Information

• Chemical Name: 5-Chloroquinoline-8-carboxylic acid
• CAS No.: 70585-49-8
• Molecular Formula: C₁₀H₆ClNO₂
• Molecular Weight: 207.616
• European Community (EC) Number: 825-522-3
• DSSTox Substance ID: DTXSID60588314
• Wikidata: Q82480914
• Mol file: 70585-49-8.mol

Synonyms:5-chloroquinoline-8-carboxylic acid;70585-49-8;5-chloro-8-quinolinecarboxylic acid;DTXSID60588314;5-chloroquinoline-8-carboxylicacid;AC6658;MFCD09048580;AKOS000132163;MCULE-3922768640;SB69691;SY058526;DB-398447;CS-0246991;EN300-35208;A923440;F8880-6014;Z330920920

Chemical Property of 5-Chloroquinoline-8-carboxylic acid

Chemical Property:

• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 207.0087061
• Heavy Atom Count: 14
• Complexity: 234

Purity/Quality:

97% ^*data from raw suppliers

5-chloroquinoline-8-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC2=C(C=CC(=C2N=C1)C(=O)O)Cl

Technology Process of 5-Chloroquinoline-8-carboxylic acid

There total 3 articles about 5-Chloroquinoline-8-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: 95.0%

5-chloro-8-chloromethylquinoline → 5-chloroquinoline-8-carboxylic acid (70585-49-8)

Guidance literature:

With cobalt(II) nitrate hexahydrate; platinum(II)-nitrate; dihydrogen peroxide; acetic anhydride; copper(II) oxide; at 115 ℃; for 8h;

Reference yield: 94.0%

5-chloro-8-dichloromethylquinoline → 5-chloroquinoline-8-carboxylic acid (70585-49-8)

Guidance literature:

With peracetic acid; platinum(II)-nitrate; cobalt(II) chloride hexahydrate; copper(II) nitrate; In water; at 100 ℃; for 8h;

Reference yield:

glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) + 2-Amino-4-chlorobenzoic acid (89-77-0) → 5-chloroquinoline-8-carboxylic acid (70585-49-8)

Guidance literature:

With sulfuric acid; for 7h; Inert atmosphere; Reflux;

DOI:10.1002/anie.201206693

upstream raw materials:

glycerol

2-Amino-4-chlorobenzoic acid

Downstream raw materials:

(5-chloroquinolin-8-yl)(phenyl)methanone

1-(5-chloroquinolin-8-yl)ethanone