Methyl 5-iodothiophene-2-carboxylate

Base Information

• Chemical Name: Methyl 5-iodothiophene-2-carboxylate
• CAS No.: 88105-22-0
• Molecular Formula: C6H5IO2S
• Molecular Weight: 268.075
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID60522894
• Nikkaji Number: J659.139F
• Wikidata: Q82388567
• Mol file: 88105-22-0.mol

Synonyms:Methyl 5-iodothiophene-2-carboxylate;88105-22-0;MFCD18072497;2-Thiophenecarboxylic acid, 5-iodo-, methyl ester;SCHEMBL2547978;DTXSID60522894;BRDYIIWMXMXTOD-UHFFFAOYSA-N;Methyl5-iodothiophene-2-carboxylate;methyl 5-iodo-2-thiophenecarboxylate;AKOS017557687;DS-3144;SY284519;CS-0150803;C76903;5-Iodo-thiophene-2-carboxylic acid methyl ester

Chemical Property of Methyl 5-iodothiophene-2-carboxylate

Chemical Property:

• PSA: 54.54000
• LogP: 2.13930
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 267.90550
• Heavy Atom Count: 10
• Complexity: 140

Purity/Quality:

97% ^*data from raw suppliers

Methyl 5-iodothiophene-2-carboxylate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C1=CC=C(S1)I

Technology Process of Methyl 5-iodothiophene-2-carboxylate

There total 8 articles about Methyl 5-iodothiophene-2-carboxylate 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: 78.0%

thiophene-2-carboxylic acid methyl ester (5380-42-7) → 5-Iodo-thiophene-2-carboxylic acid methyl ester (88105-22-0)

Guidance literature:

With iodine; bis-[(trifluoroacetoxy)iodo]benzene; In tetrachloromethane; for 2h;

DOI:10.1016/0040-4039(95)00876-E

Reference yield: 70.0%

2-Iodothiophene (3437-95-4,149762-92-5) + methanol (67-56-1) + carbon tetrabromide (558-13-4) → 5-Iodo-thiophene-2-carboxylic acid methyl ester (88105-22-0)

Guidance literature:

With tris(bipyridine)ruthenium(II) dichloride hexahydrate; potassium carbonate; at 20 ℃; for 24h; regioselective reaction; Inert atmosphere; Irradiation;

DOI:10.1021/acs.joc.9b00942

Reference yield: 63.0%

thiophene-2-carboxylic acid methyl ester (5380-42-7) + bis-[(trifluoroacetoxy)iodo]benzene (2712-78-9) → 5-Iodo-thiophene-2-carboxylic acid methyl ester (88105-22-0)

Guidance literature:

With iodine; sodium thiosulfate; In tetrachloromethane; dichloromethane;

upstream raw materials:

thiophene-2-carboxylic acid methyl ester

bis-[(trifluoroacetoxy)iodo]benzene

2-Iodothiophene

methanol

Downstream raw materials:

5-Furan-2-ylethynyl-thiophene-2-carbaldehyde

methyl 5-(phenylethynyl)-thiophene-2-carboxylate

5-Iodo-thiophene-2-carboxylic acid

methyl 5-(((5aR,6S)-1-(4-fluorophenyl)-5a-methyl-5,5a,6,7,8,9-hexahydroimidazo[1,5-b]isoquinolin-6-yl)(hydroxy)methyl)thiophene-2-carboxylate

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