3-Oxo-5,6-diphenyl-2,3-dihydropyridazine-4-carbonitrile

Base Information

• Chemical Name: 3-Oxo-5,6-diphenyl-2,3-dihydropyridazine-4-carbonitrile
• CAS No.: 79225-55-1
• Molecular Formula: C17H11 N3 O
• Molecular Weight: 273.294
• NSC Number: 362445,33242
• DSSTox Substance ID: DTXSID70229589
• Nikkaji Number: J3.490.428F
• Wikidata: Q83109888
• ChEMBL ID: CHEMBL228036
• Mol file: 79225-55-1.mol

Synonyms:79225-55-1;3-oxo-5,6-diphenyl-2,3-dihydropyridazine-4-carbonitrile;6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonitrile;CHEMBL228036;2,3-DIHYDRO-3-OXO-5,6-DIPHENYL-4-PYRIDAZINECARBONITRILE;4-Pyridazinecarbonitrile, 2,3-dihydro-3-oxo-5,6-diphenyl-;3-oxo-5,6-diphenyl-2,3-dihydro-4-pyridazinecarbonitrile;NSC33242;Oprea1_535763;MLS001181864;SCHEMBL10981781;DTXSID70229589;PPWYWNPYONMTBG-UHFFFAOYSA-N;HMS1664O17;HMS2873B23;BDBM50210325;CCG-53877;MFCD00075161;NSC-33242;NSC362445;3,4-diphenyl-5-cyanopyridazin-6-one;AKOS002279625;NSC-362445;NCGC00246638-01;SMR000567612;4-Cyano-5,6-diphenyl-3-(2H)-pyridazinone;AE-406/41057003;SR-01000643010-1;F3098-6763

Chemical Property of 3-Oxo-5,6-diphenyl-2,3-dihydropyridazine-4-carbonitrile

Chemical Property:

• PSA: 69.54000
• Density: 1.21g/cm³
• LogP: 2.97558
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 273.090211983
• Heavy Atom Count: 21
• Complexity: 526

Purity/Quality:

2,3-DIHYDRO-3-OXO-5,6-DIPHENYL-4-PYRIDAZINECARBONITRILE 95.00% ^*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=C(C(=O)NN=C2C3=CC=CC=C3)C#N

Technology Process of 3-Oxo-5,6-diphenyl-2,3-dihydropyridazine-4-carbonitrile

There total 7 articles about 3-Oxo-5,6-diphenyl-2,3-dihydropyridazine-4-carbonitrile 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: 95.0%

Cyanoacetohydrazide (140-87-4) + benzil (134-81-6) → 3-oxo-5,6-diphenyl-2,3-dihydro-pyridazine-4-carbonitrile (79225-55-1)

Guidance literature:

In N-methyl-acetamide;

Reference yield: 70.0%

benzil monohydrazone (5344-88-7) + cyanoacetic acid amide (107-91-5) → 3-oxo-5,6-diphenyl-2,3-dihydro-pyridazine-4-carbonitrile (79225-55-1)

Guidance literature:

DOI:10.1002/ardp.19903231014

Reference yield:

benzil monohydrazone (5344-88-7) + ethyl 2-cyanoacetate (105-56-6) → 3-oxo-5,6-diphenyl-2,3-dihydro-pyridazine-4-carbonitrile (79225-55-1)

Guidance literature:

With ethanol; sodium ethanolate;

upstream raw materials:

2-cyano-4-oxo-3,4-diphenyl-crotonic acid ethyl ester

benzil monohydrazone

ethyl 2-cyanoacetate

benzil

Downstream raw materials:

2-methyl-3-oxo-5,6-diphenyl-2,3-dihydro-pyridazine-4-carbonitrile

4,5,6-triphenyl-3(2H)-pyridazinone

4-Benzoyl-4,5,6-triphenyl-4,5-dihydro-3(2H)-pyridazinone

4-benzoyl-5,6-diphenylpyridazine-3(2H)-one