5-iodo-2-methylpyridazin-3(2H)-one

Base Information

• Chemical Name: 5-iodo-2-methylpyridazin-3(2H)-one
• CAS No.: 153239-91-9
• Molecular Formula: C5H5IN2O
• Molecular Weight: 236.012
• Hs Code.: 2933998090
• European Community (EC) Number: 963-924-1
• Nikkaji Number: J1.404.250D
• Mol file: 153239-91-9.mol

Synonyms:153239-91-9;5-iodo-2-methylpyridazin-3(2H)-one;5-Iodo-2-methyl-3(2H)-pyridazinone;5-iodo-2-methyl-2,3-dihydropyridazin-3-one;3(2H)-Pyridazinone, 5-iodo-2-methyl-;5-IODO-2-METHYLPYRIDAZIN-3-ONE;MFCD22052654;SCHEMBL1373187;ZZVTUADLCFBPGZ-UHFFFAOYSA-N;5-iodo-2-methyl-2H-pyridazin-3-one;AKOS025289590;PB36201;SB10663;AC-30784;AS-51593;SY098833;CS-0044944;FT-0751469;EN300-138720;P13043;A883839;Z1618126523

Chemical Property of 5-iodo-2-methylpyridazin-3(2H)-one

Chemical Property:

• Melting Point: 179-180 °C(Solv: isopropanol (67-63-0))
• Boiling Point: 236.3±43.0 °C(Predicted)
• PKA: -2.41±0.20(Predicted)
• PSA: 34.89000
• Density: 2.07±0.1 g/cm3(Predicted)
• LogP: 0.38490
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 235.94466
• Heavy Atom Count: 9
• Complexity: 197

Purity/Quality:

97% ^*data from raw suppliers

5-Iodo-2-methyl-2,3-dihydropyridazin-3-one 97.0% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=O)C=C(C=N1)I

Technology Process of 5-iodo-2-methylpyridazin-3(2H)-one

There total 2 articles about 5-iodo-2-methylpyridazin-3(2H)-one 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: 81.0%

4,5-dichloro-2-methyl-3(2H)-pyridazinone (933-76-6) → 5-iodo-2-methylpyridazin-3(2H)-one (153239-91-9)

Guidance literature:

With hydrogen iodide; for 24h; Heating;

DOI:10.1016/j.tet.2004.10.014

Reference yield: 67.0%

methyl iodide (74-88-4) + 5-iodo-2,3-dihydropyridazin-3-one (825633-94-1) → 5-iodo-2-methylpyridazin-3(2H)-one (153239-91-9)

Guidance literature:

With potassium carbonate; In acetonitrile; for 1h; Reflux;

Reference yield: 91.0%

5-iodo-2-methylpyridazin-3(2H)-one (153239-91-9) + phenylboronic acid (98-80-6) → 2-methyl-5-phenylpyridazin-3(2H)-one

Guidance literature:

With potassium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,2-dimethoxyethane; water; Heating;

DOI:10.1016/j.tet.2004.10.014

upstream raw materials:

4,5-dichloro-2-methyl-3(2H)-pyridazinone

methyl iodide

5-iodo-2,3-dihydropyridazin-3-one

Downstream raw materials:

2-[(2H)-2-methyl-3-oxo-5-pyridazinyl]-N-pivaloylanilide

2-[(2H)-2-methyl-3-oxo-5-pyridazinyl]-4-chloro-N-pivaloylanilide

5-(2-bromophenoxy)-2-methylpyridazin-3(2H)-one

5-[(2-bromophenyl)amino]-2-methylpyridazin-3(2H)-one