4-Hydroxy-6-iodoquinoline-3-carboxylic acid

Base Information

• Chemical Name: 4-Hydroxy-6-iodoquinoline-3-carboxylic acid
• CAS No.: 302949-02-6
• Molecular Formula: C₁₀H₆INO₃
• Molecular Weight: 315.067
• Hs Code.: 2933499090
• European Community (EC) Number: 874-066-1,809-274-3
• ChEMBL ID: CHEMBL217028
• Mol file: 302949-02-6.mol

Synonyms:4-Hydroxy-6-iodoquinoline-3-carboxylic acid;302949-02-6;6-iodo-4-oxo-1,4-dihydroquinoline-3-carboxylic acid;40107-06-0;6-iodo-4-oxo-1H-quinoline-3-carboxylic acid;6-iodo-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid;6-Iodo-4-oxo-1,4-dihydro-3-quinoline-carboxylic acid;6-Iodo-4-oxo-1,4-dihydro-3-quinolinecarboxylicacid;MFCD01912285;Oprea1_053455;CHEMBL217028;SCHEMBL1618188;MPPGVYGQCYVNRZ-UHFFFAOYSA-N;AMY27550;CMA94902;AB7320;STL331867;AKOS001629468;AKOS016009397;GD-0074;SB72186;SB72421;CS-0216613;EN300-52453;SR-01000432017;J-518809;SR-01000432017-1;1,4-dihydro-6-iodo-4-oxo-quinoline-3-carboxylic acid;6-iodo-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid;F0910-1426;Z431512414

Chemical Property of 4-Hydroxy-6-iodoquinoline-3-carboxylic acid

Chemical Property:

• Boiling Point: 430.9±45.0 °C(Predicted)
• PKA: 6.44±0.10(Predicted)
• PSA: 70.16000
• Density: 2.040±0.06 g/cm3(Predicted)
• LogP: 1.83090
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 314.93924
• Heavy Atom Count: 15
• Complexity: 340

Purity/Quality:

98.5% ^*data from raw suppliers

1,4-Dihydro-6-iodo-4-oxoquinoline-3-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1I)C(=O)C(=CN2)C(=O)O

Technology Process of 4-Hydroxy-6-iodoquinoline-3-carboxylic acid

There total 6 articles about 4-Hydroxy-6-iodoquinoline-3-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: 99.0%

ethyl 1,4-dihydro-6-iodo-4-oxoquinoline-3-carboxylate (228728-23-2,302949-01-5) → 6-iodo-4-oxo-quinoline-3-carboxylic acid (302949-02-6,40107-06-0)

Guidance literature:

ethyl 1,4-dihydro-6-iodo-4-oxoquinoline-3-carboxylate; With water; potassium carbonate; at 130 ℃; for 0.583333h; Inert atmosphere; Microwave irradiation;

With hydrogenchloride; In water; at 20 ℃; pH=1; Inert atmosphere;

DOI:10.1016/j.bmc.2012.05.066

Reference yield: 97.0%

ethyl 4-hydroxy-6-iodo-3-quinolinecarboxylate (228728-23-2,302949-01-5) → 4-hydroxy-6-iodoquinoline-3-carboxylic acid (302949-02-6,40107-06-0)

Guidance literature:

With sodium hydroxide;

DOI:10.1016/j.tetlet.2008.03.040

Reference yield:

C10H5INO3(1-)*Na(1+) → 4-hydroxy-6-iodoquinoline-3-carboxylic acid (302949-02-6,40107-06-0)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; methanol; water; pH=6;

upstream raw materials:

ethyl 1,4-dihydro-6-iodo-4-oxoquinoline-3-carboxylate

p-aminoiodobenzene

ethyl α-carbethoxy-β-p-iodoanilinoacrylate

ethyl 4-hydroxy-6-iodo-3-quinolinecarboxylate

Downstream raw materials:

C₁₇H₁₄IN₃O₂

4-hydroxyl-6-iodoquinoline