5,6-Diphenylpyridazin-3-one

Base Information

• Chemical Name: 5,6-Diphenylpyridazin-3-one
• CAS No.: 2166-34-9
• Molecular Formula: C16H12 N2 O
• Molecular Weight: 248.284
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70176044
• Nikkaji Number: J1.531.277G
• Wikidata: Q83046379
• ChEMBL ID: CHEMBL113474
• Mol file: 2166-34-9.mol

Synonyms:5,6-diphenylpyridazin-3-one;5,6-DPPZO

Chemical Property of 5,6-Diphenylpyridazin-3-one

Chemical Property:

• Melting Point: 217-218 °C
• Refractive Index: 1.634
• Boiling Point: °Cat760mmHg
• PKA: 10.69±0.60(Predicted)
• Flash Point: °C
• PSA: 46.01000
• Density: 1.17g/cm³
• LogP: 3.51620
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 248.094963011
• Heavy Atom Count: 19
• Complexity: 399

Purity/Quality:

99% ^*data from raw suppliers

5,6-Diphenylpyridazin-3-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC(=O)NN=C2C3=CC=CC=C3

Technology Process of 5,6-Diphenylpyridazin-3-one

There total 20 articles about 5,6-Diphenylpyridazin-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: 98.0%

2-methoxymethyl-5,6-diphenyl-2H-pyridazin-3-one (351416-08-5) → 5,6-diphenylpyridazine-3-(2H)-one (2166-34-9)

Guidance literature:

With aluminium trichloride; In toluene; Heating;

DOI:10.1016/S0040-4039(01)01898-6

Reference yield: 86.0%

3-chloro-5,6-diphenylpyridazine (27062-58-4) → 5,6-diphenylpyridazine-3-(2H)-one (2166-34-9)

Guidance literature:

With acetic acid; Heating;

DOI:10.1055/s-2002-19761

Reference yield: 78.0%

5,6-diphenyl-4,5-dihydropyridazin-3(2H)-one (1028-70-2) → 5,6-diphenylpyridazine-3-(2H)-one (2166-34-9)

Guidance literature:

With bromine; acetic acid; for 3h; Reflux;

DOI:10.2174/1573406414666180524073241

upstream raw materials:

3-oxo-5,6-diphenyl-2,3-dihydro-pyridazine-4-carboxylic acid

2-methoxymethyl-5,6-diphenyl-2H-pyridazin-3-one

3-chloro-5,6-diphenylpyridazine

5-bromo-2-hydroxymethyl-6-phenyl-3(2H)-pyridazinone

Downstream raw materials:

{3-[2-(6-Oxo-3,4-diphenyl-6H-pyridazin-1-yl)-ethyl]-phenoxy}-acetic acid

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