3-Oxo-6-phenyl-2,3-dihydropyridazine-4-carboxamide

Base Information

• Chemical Name: 3-Oxo-6-phenyl-2,3-dihydropyridazine-4-carboxamide
• CAS No.: 87769-56-0
• Molecular Formula: C11H9N3O2
• Molecular Weight: 215.211
• DSSTox Substance ID: DTXSID70363073
• Wikidata: Q82146629

Synonyms:87769-56-0;3-oxo-6-phenyl-2,3-dihydropyridazine-4-carboxamide;6-oxo-3-phenyl-1H-pyridazine-5-carboxamide;3-oxo-6-phenyl-2,3-dihydro-4-pyridazinecarboxamide;4D-083;2,3-dihydro-3-oxo-6-phenyl-4-pyridazinecarboxamide;Oprea1_014389;SCHEMBL4432138;DTXSID70363073;MFCD00974781;AKOS015992736;6-Phenyl-3-oxo-2H-pyridazine-4-carboxamide;94011-60-6

Chemical Property of 3-Oxo-6-phenyl-2,3-dihydropyridazine-4-carboxamide

Chemical Property:

• PSA: 90.09000
• LogP: 1.83230
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 215.069476538
• Heavy Atom Count: 16
• Complexity: 379

Purity/Quality:

2,3-dihydro-3-oxo-6-phenyl-4-Pyridazinecarboxamide 97.00% ^*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=NNC(=O)C(=C2)C(=O)N

Technology Process of 3-Oxo-6-phenyl-2,3-dihydropyridazine-4-carboxamide

There total 4 articles about 3-Oxo-6-phenyl-2,3-dihydropyridazine-4-carboxamide 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: 86.0%

ethyl 2,3-dihydro-3-oxo-6-phenyl-4-pyridazinecarboxylate (34753-27-0) → 2,3-dihydro-3-oxo-6-phenyl-4-pyridazinecarboxamide (87769-56-0)

Guidance literature:

With ammonium hydroxide; at 20 ℃;

DOI:10.1021/jm00123a004

Reference yield:

ethyl 3-oxo-6-phenyl-2,3,4,5-tetrahydropyridazine-4-carboxylate (94011-50-4) → 2,3-dihydro-3-oxo-6-phenyl-4-pyridazinecarboxamide (87769-56-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 60 percent / bromine / acetic acid

2: 86 percent / conc. aq. NH₃ / 20 °C

With ammonium hydroxide; bromine; In acetic acid;

DOI:10.1021/jm00123a004

Reference yield:

diethyl phenacylmalonate (94011-49-1) → 2,3-dihydro-3-oxo-6-phenyl-4-pyridazinecarboxamide (87769-56-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 60 percent / hydrazine hydrate / ethanol / Ambient temperature

2: 60 percent / bromine / acetic acid

3: 86 percent / conc. aq. NH₃ / 20 °C

With ammonium hydroxide; bromine; hydrazine hydrate; In ethanol; acetic acid;

DOI:10.1021/jm00123a004

upstream raw materials:

ethyl 2,3-dihydro-3-oxo-6-phenyl-4-pyridazinecarboxylate

ethyl 3-oxo-6-phenyl-2,3,4,5-tetrahydropyridazine-4-carboxylate

diethyl phenacylmalonate

Downstream raw materials:

4-amino-6-phenyl-3(2H)-pyridazinone

3-chloro-6-phenylpyridazine-4-carbonitrile

5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-ylamine

3-(2-morpholinoethylamino)-4-cyano-6-phenylpyridazine dihydrochloride

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