4,5-Diiodo-1-methylpyrazole

Base Information

• Chemical Name: 4,5-Diiodo-1-methylpyrazole
• CAS No.: 34091-52-6
• Molecular Formula: C₄H₄I₂N₂
• Molecular Weight: 333.898
• DSSTox Substance ID: DTXSID201305043
• Mol file: 34091-52-6.mol

Synonyms:4,5-diiodo-1-methylpyrazole;SCHEMBL17624320;KLBACGWDZIGBIS-UHFFFAOYSA-N;DTXSID201305043;4,5-Diiodo-1-methyl-1H-pyrazole;34091-52-6

Chemical Property of 4,5-Diiodo-1-methylpyrazole

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 333.84639
• Heavy Atom Count: 8
• Complexity: 88.1

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1C(=C(C=N1)I)I

Technology Process of 4,5-Diiodo-1-methylpyrazole

There total 1 articles about 4,5-Diiodo-1-methylpyrazole 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: 21.7%

methyl ester of 1-methylpyrazole-4-carboxylic acid (5952-93-2) → 4-iodo-1-methyl-1H-pyrazole (39806-90-1) + 3,4-diiodo-1-methylpyrazole (34091-53-7) + 4,5-diiodo-1-methylpyrazole (34091-52-6) + methyl ester of 3,5-diiodo-1-methylpyrazole-4-carboxylic acid

Guidance literature:

With sulfuric acid; iodine; iodic acid; In tetrachloromethane; acetic acid; at 80 ℃; for 30h; Further byproducts given;

DOI:10.1007/BF00949685

upstream raw materials:

methyl ester of 1-methylpyrazole-4-carboxylic acid