5-Iodothiophene-2-carboxylic acid

Base Information

• Chemical Name: 5-Iodothiophene-2-carboxylic acid
• CAS No.: 60166-85-0
• Molecular Formula: C5H3IO2S
• Molecular Weight: 254.048
• European Community (EC) Number: 894-229-0
• DSSTox Substance ID: DTXSID60503481
• Nikkaji Number: J1.418.064H
• Wikidata: Q82357344
• Mol file: 60166-85-0.mol

Synonyms:5-Iodothiophene-2-carboxylic acid;60166-85-0;MFCD17215786;5-Iodo-thiophene-2-carboxylic acid;C5H3IO2S;5-iodo-2-Thiophenecarboxylic acid;2-Thiophenecarboxylic acid, 5-iodo-;5-iodo-2-thiophenecarboxylic;SCHEMBL7447302;5-Iodothiophene-2-carboxylicacid;DTXSID60503481;HQCXDWXNOLVWER-UHFFFAOYSA-N;AKOS016009796;DS-6336;SY113150;CS-0041415;FT-0727879;C75812;EN300-305014;A869030;Z1269191681

Chemical Property of 5-Iodothiophene-2-carboxylic acid

Chemical Property:

• Melting Point: 133 °C
• Boiling Point: 344.0±27.0 °C(Predicted)
• PKA: 3.28±0.10(Predicted)
• PSA: 65.54000
• Density: 2.238±0.06 g/cm3(Predicted)
• LogP: 2.05090
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 253.88985
• Heavy Atom Count: 9
• Complexity: 128

Purity/Quality:

97% ^*data from raw suppliers

5-Iodothiophene-2-carboxylic acid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(SC(=C1)I)C(=O)O

Technology Process of 5-Iodothiophene-2-carboxylic acid

There total 6 articles about 5-Iodothiophene-2-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: 91.0%

5-Iodo-thiophene-2-carboxylic acid methyl ester (88105-22-0) → 5-Iodo-thiophene-2-carboxylic acid (60166-85-0)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran; water;

Reference yield: 34.0%

2-thiophenylcarboxylic acid (527-72-0) + ethanol (64-17-5) + iodotrifluoromethane (2314-97-8,263005-66-9) → 5-Iodo-thiophene-2-carboxylic acid (60166-85-0)

Guidance literature:

With n-butyllithium; magnesium sulfate; diisopropylamine; In tetrahydrofuran; diethyl ether; hexane; water;

Reference yield:

2-Iodothiophene (3437-95-4,149762-92-5) → 5-Iodo-thiophene-2-carboxylic acid (60166-85-0)

Guidance literature:

With diethyl ether; sodium; Behandeln des Reaktionsgemisches mit festem Kohlendioxid;

DOI:10.1021/ja01181a087

upstream raw materials:

2-Iodothiophene

2-acetyl-5-iodothiophene

diethyl ether

carbon dioxide

Downstream raw materials:

4,5-Dibromo-thiophene-2-carboxylic acid