4-IODO-1,3,5-TRIMETHYL-1H-PYRAZOLE

Base Information

• Chemical Name: 4-IODO-1,3,5-TRIMETHYL-1H-PYRAZOLE
• CAS No.: 51660-65-2
• Molecular Formula: C₆H₉IN₂
• Molecular Weight: 236.055
• Hs Code.: 2933199090
• Mol file: 51660-65-2.mol

Synonyms:Pyrazole,4-iodo-1,3,5-trimethyl- (7CI); 4-Iodo-1,3,5-trimethyl-1H-pyrazole;4-Iodo-1,3,5-trimethylpyrazole

Chemical Property of 4-IODO-1,3,5-TRIMETHYL-1H-PYRAZOLE

Chemical Property:

• Vapor Pressure: 0.0415mmHg at 25°C
• Melting Point: 72 °C
• Boiling Point: 246.9°Cat760mmHg
• PKA: 1.40±0.10(Predicted)
• Flash Point: 103.1°C
• PSA: 17.82000
• Density: 1.8g/cm³
• LogP: 1.64150
• Storage Temp.: 2-8°C

Purity/Quality:

98% ^*data from raw suppliers

4-Iodo-1,3,5-trimethyl-1H-pyrazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-IODO-1,3,5-TRIMETHYL-1H-PYRAZOLE

There total 6 articles about 4-IODO-1,3,5-TRIMETHYL-1H-PYRAZOLE 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: 97.0%

4-iodo-3,5-dimethyl-1H-pyrazole (2033-45-6) + methyl iodide (74-88-4) → 4-iodo-1,3,5-trimethyl-1H-pyrazole (51660-65-2)

Guidance literature:

4-iodo-3,5-dimethyl-1H-pyrazole; With sodium hydride; In tetrahydrofuran; at 20 ℃; Inert atmosphere;

methyl iodide; In tetrahydrofuran; for 12h;

DOI:10.3987/COM-18-13916

Reference yield: 95.0%

1,3,5-trimethyl-1H-pyrazole (1072-91-9) → 4-iodo-1,3,5-trimethyl-1H-pyrazole (51660-65-2)

Guidance literature:

With dihydrogen peroxide; iodine; In water; at 20 ℃; for 24h;

DOI:10.1016/j.tetlet.2008.04.082

Reference yield:

3,5-dimethyl-1H-pyrazole (67-51-6) → 4-iodo-1,3,5-trimethyl-1H-pyrazole (51660-65-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: iodine; ammonium cerium (IV) nitrate / acetonitrile

2.1: sodium hydride / tetrahydrofuran / 20 °C / Inert atmosphere

2.2: 12 h

With ammonium cerium (IV) nitrate; iodine; sodium hydride; In tetrahydrofuran; acetonitrile;

DOI:10.3987/COM-18-13916

upstream raw materials:

1,3,5-trimethyl-1H-pyrazole

3,5-dimethyl-1H-pyrazole

4-iodo-3,5-dimethyl-1H-pyrazole

methyl iodide

Downstream raw materials:

4-ethynyl-1,3,5-trimethyl-1H-pyrazole

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