5,6-Diphenyl-3,4-pyridazinedicarboxylic acid

Base Information

• Chemical Name: 5,6-Diphenyl-3,4-pyridazinedicarboxylic acid
• CAS No.: 253144-69-3
• Molecular Formula: C₁₈H₁₂N₂O₄
• Molecular Weight: 320.304
• DSSTox Substance ID: DTXSID00423356
• Nikkaji Number: J1.205.456D
• Wikidata: Q82235558
• Mol file: 253144-69-3.mol

Synonyms:5,6-diphenyl-3,4-pyridazinedicarboxylic acid;253144-69-3;5,6-diphenylpyridazine-3,4-dicarboxylic Acid;diphenylpyridazine-3,4-dicarboxylic acid;5,6-diphenyl-pyridazine-3,4-dicarboxylic acid;DTXSID00423356;MFCD03001259;AKOS005070242;5,6-diphenylpyridazine-3,4-dicarboxylicAcid;CS-0336188;3R-0293;J-516549;Z3225738676

Chemical Property of 5,6-Diphenyl-3,4-pyridazinedicarboxylic acid

Chemical Property:

• Melting Point: 140-142°C
• Boiling Point: 555.7±50.0 °C(Predicted)
• PKA: 0.89±0.10(Predicted)
• Density: 1.383±0.06 g/cm3(Predicted)
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 320.07970687
• Heavy Atom Count: 24
• Complexity: 458

Purity/Quality:

98%min ^*data from raw suppliers

5,6-Diphenyl-3,4-pyridazinedicarboxylic acid >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 5,6-Diphenyl-3,4-pyridazinedicarboxylic acid

There total 2 articles about 5,6-Diphenyl-3,4-pyridazinedicarboxylic acid 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: 43.0%

3,4-diethoxycarbonyl-5,6-diphenylpyridazine (253144-68-2) → 5,6-diphenylpyridazine-3,4-dicarboxylic acid (253144-69-3)

Guidance literature:

With potassium hydroxide; In methanol; for 2h; Heating;

DOI:10.1080/00397919908085887

Reference yield:

benzil monohydrazone (5344-88-7) → 5,6-diphenylpyridazine-3,4-dicarboxylic acid (253144-69-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 52 percent / 1 h / 140 - 150 °C

2: 43 percent / KOH / methanol / 2 h / Heating

With potassium hydroxide; In methanol; 1: Cyclization / 2: Hydrolysis;

DOI:10.1080/00397919908085887

Reference yield: 43.0%

5,6-diphenylpyridazine-3,4-dicarboxylic acid (253144-69-3) → 3,4-diphenyl-5,7-dioxofuro[3,4-c]pyridazine (253144-70-6)

Guidance literature:

With acetyl chloride; for 3h; Heating;

DOI:10.1080/00397919908085887

upstream raw materials:

3,4-diethoxycarbonyl-5,6-diphenylpyridazine

benzil monohydrazone

Downstream raw materials:

3,4-diphenylpyridazine

3,4-diphenyl-5,7-dioxofuro[3,4-c]pyridazine

4-benzoyl-5,6-diphenylpyridazine

Refernces