2-Iodo-3-methylthiophene

Base Information

• Chemical Name: 2-Iodo-3-methylthiophene
• CAS No.: 16494-40-9
• Molecular Formula: C5H5 I S
• Molecular Weight: 224.06
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID30472877
• Nikkaji Number: J151.096G
• Wikidata: Q82302065
• Mol file: 16494-40-9.mol

Synonyms:2-IODO-3-METHYLTHIOPHENE;16494-40-9;Thiophene, 2-iodo-3-methyl-;Thiophene,2-iodo-3-methyl-;SCHEMBL4615951;DTXSID30472877;AKOS015911728;BS-50335;FT-0762153;E85339;EN300-213743

Chemical Property of 2-Iodo-3-methylthiophene

Chemical Property:

• PSA: 28.24000
• LogP: 2.66110
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 223.91567
• Heavy Atom Count: 7
• Complexity: 65.1

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(SC=C1)I

Technology Process of 2-Iodo-3-methylthiophene

There total 5 articles about 2-Iodo-3-methylthiophene 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: 94.0%

3-Methylthiophene (616-44-4,84928-92-7) → 2-iodo-3-methylthiophene (16494-40-9)

Guidance literature:

With iodine; mercury(II) oxide;

DOI:10.1021/ja00018a069

Reference yield: 90.0%

3-Methylthiophene (616-44-4,84928-92-7) → 2-iodo-3-methylthiophene (16494-40-9) + 3-methyl-2,5-diiodothiophene (16488-60-1)

Guidance literature:

With ammonium iodide; dihydrogen peroxide; In water; acetic acid; for 20h; regioselective reaction; Green chemistry;

DOI:10.1139/cjc-2013-0058

Reference yield:

→ 2-iodo-3-methylthiophene (16494-40-9)

Guidance literature:

With iodine; potassium iodide;

DOI:10.1039/jr9570001525

upstream raw materials:

3-Methylthiophene

Downstream raw materials:

3-methylthiophene-2-carbonitrile

methyl 3-methylthiophene-2-carboxylate

2-cyano-3-(p-toluenesulfinylmethyl)thiophene

methyl 3-(p-toluenesulfenylmethyl)thiophene-2-carboxylate