4-Iodo-2-methylthiophene

Base Information

• Chemical Name: 4-Iodo-2-methylthiophene
• CAS No.: 16494-35-2
• Molecular Formula: C₅H₅IS
• Molecular Weight: 224.065
• Hs Code.: 2934999090
• NSC Number: 115028
• DSSTox Substance ID: DTXSID40297270
• Nikkaji Number: J151.102E
• Wikidata: Q82038287
• Mol file: 16494-35-2.mol

Synonyms:4-iodo-2-methylthiophene;16494-35-2;3-IODO-5-METHYLTHIOPHENE;Thiophene, 4-iodo-2-methyl-;Thiophene,4-iodo-2-methyl-;NSC115028;SCHEMBL8453182;DTXSID40297270;NSC-115028;EN300-646093

Chemical Property of 4-Iodo-2-methylthiophene

Chemical Property:

• Vapor Pressure: 0.252mmHg at 25°C
• Boiling Point: 212.4°Cat760mmHg
• Flash Point: 82.3°C
• PSA: 28.24000
• Density: 1.91g/cm³
• 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:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CS1)I

Technology Process of 4-Iodo-2-methylthiophene

There total 2 articles about 4-Iodo-2-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:

2-Methylthiophene (554-14-3) → 4-iodo-2-methyl-thiophene (16494-35-2)

Guidance literature:

Multi-step reaction with 2 steps

1: mercury (II)-acetate; acetic acid; iodine

2: magnesium; diethyl ether; methyl bromide

With methyl bromide; diethyl ether; mercury(II) diacetate; iodine; magnesium; acetic acid;

Reference yield:

3,4,5-triiodo-2-methylthiophene (16494-47-6) → 4-iodo-2-methyl-thiophene (16494-35-2) + 3,4-diiodo-2-methyl-thiophene (16494-37-4)

Guidance literature:

With methyl bromide; diethyl ether; magnesium;

Reference yield:

4-iodo-2-methyl-thiophene (16494-35-2) → C15H14BrN3OS (1351753-36-0)

Guidance literature:

Multi-step reaction with 3 steps

1: copper(l) iodide; bis-triphenylphosphine-palladium(II) chloride; triethylamine / N,N-dimethyl-formamide

2: potassium permanganate; water; sodium hydrogencarbonate; magnesium sulfate / acetone

3: water; sodium carbonate / 1,4-dioxane; ethanol

With bis-triphenylphosphine-palladium(II) chloride; potassium permanganate; copper(l) iodide; water; sodium hydrogencarbonate; sodium carbonate; magnesium sulfate; triethylamine; In 1,4-dioxane; ethanol; N,N-dimethyl-formamide; acetone; 1: Sonogashira coupling;

DOI:10.1016/j.bmcl.2011.07.057

upstream raw materials:

3,4,5-triiodo-2-methylthiophene

2-Methylthiophene

Downstream raw materials:

5-methyl-thiophene-3-carboxylic acid

C₁₅H₁₄BrN₃OS

C₁₉H₁₇N₅OS

C₁₃H₉BrO₂S