4,5-Dichloro-2-(4-chlorophenyl)-2,3-dihydropyridazin-3-one

Base Information

• Chemical Name: 4,5-Dichloro-2-(4-chlorophenyl)-2,3-dihydropyridazin-3-one
• CAS No.: 33098-11-2
• Molecular Formula: C10H5Cl3N2O
• Molecular Weight: 275.521
• European Community (EC) Number: 870-416-2
• DSSTox Substance ID: DTXSID301230126
• Mol file: 33098-11-2.mol

Synonyms:4,5-dichloro-2-(4-chlorophenyl)-2,3-dihydropyridazin-3-one;33098-11-2;4,5-dichloro-2-(4-chlorophenyl)pyridazin-3-one;4,5-Dichloro-2-(4-chlorophenyl)pyridazin-3(2H)-one;4,5-dichloro-2-(4-chlorophenyl)-3(2H)-pyridazinone;Cambridge id 5349968;SCHEMBL4672474;DTXSID301230126;MFCD00814268;AKOS000135006;AM805239;BS-41876;CS-0036388;EN300-41154;2-(4-chlorophenyl)-4,5-dichloropyridazin-3-one;2-(4-chlorophenyl)-4,5-dichlorpyridazin-3-one;AB00082139-01;2-(4-chlorophenyl)-4,5-dichloro-pyridazin-3-one;SR-01000206288;SR-01000206288-1;2-(4-chlorophenyl)-4,5-dichloro-3(2H)-pyridazinone;3(2H)-Pyridazinone, 4,5-dichloro-2-(4-chlorophenyl)-;Z330924924

Chemical Property of 4,5-Dichloro-2-(4-chlorophenyl)-2,3-dihydropyridazin-3-one

Chemical Property:

• Melting Point: 186-188 °C(Solv: ethanol (64-17-5))
• Boiling Point: 353.0±52.0 °C(Predicted)
• PKA: -4.22±0.60(Predicted)
• PSA: 34.89000
• Density: 1.55±0.1 g/cm3(Predicted)
• LogP: 3.19270
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 273.946746
• Heavy Atom Count: 16
• Complexity: 359

Purity/Quality:

97% ^*data from raw suppliers

4,5-Dichloro-2-(4-chlorophenyl)pyridazin-3(2H)-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1N2C(=O)C(=C(C=N2)Cl)Cl)Cl

Technology Process of 4,5-Dichloro-2-(4-chlorophenyl)-2,3-dihydropyridazin-3-one

There total 3 articles about 4,5-Dichloro-2-(4-chlorophenyl)-2,3-dihydropyridazin-3-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: 60.0%

4-chlorophenylhydrazine hydrochloride (1073-70-7) + mucochloric acid (57697-64-0) → 4,5-dichloro-2-(4-chloro-phenyl)-2H-pyridazin-3-one (33098-11-2)

Guidance literature:

In methanol; water; for 3h;

DOI:10.1039/c5sc01258a

Reference yield: 30.0%

4,5-dichloro-2H-pyridazin-3-one (932-22-9) + chlorobenzene (108-90-7) → 4,5-dichloro-2-(4-chloro-phenyl)-2H-pyridazin-3-one (33098-11-2) + 4,5-dichloro-2-(2-chloro-phenyl)-2H-pyridazin-3-one

Guidance literature:

With zinc(II) chloride; lead(IV) acetate; for 40h; Heating;

DOI:10.1016/j.tetlet.2004.10.003

Reference yield:

Mucochloric acid (766-40-5) + N-4-chlorophenylhydrazine (1073-69-4) → 4,5-dichloro-2-(4-chloro-phenyl)-2H-pyridazin-3-one (33098-11-2)

Guidance literature:

Mucochloric acid; N-4-chlorophenylhydrazine; In ethanol; at 20 ℃; for 3h;

With acetic acid; In ethanol; for 3h; Reflux;

DOI:10.1016/j.bmcl.2012.09.074

upstream raw materials:

4,5-dichloro-2H-pyridazin-3-one

chlorobenzene

Mucochloric acid

N-4-chlorophenylhydrazine

Downstream raw materials:

4-chloro-2-(4-chloro-phenyl)-5-hydroxy-2H-pyridazin-3-one

C₁₇H₁₂Cl₂N₂O₃

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