Phenyl-pyridazin-3-yl-methanone

Base Information

• Chemical Name: Phenyl-pyridazin-3-yl-methanone
• CAS No.: 60906-52-7
• Molecular Formula: C11H8N2O
• Molecular Weight: 184.197
• DSSTox Substance ID: DTXSID50451669
• Nikkaji Number: J573.483E
• Wikidata: Q82271795

Synonyms:Phenyl-pyridazin-3-yl-methanone;60906-52-7;Phenyl(pyridazin-3-yl)methanone;3-Benzoylpyridazine;phenyl-3-pyridazinylmethanone;phenyl(3-pyridazinyl)methanone;phenyl-pyridazin-3-ylmethanone;SCHEMBL3992842;DTXSID50451669;MFCD20278342;SB37914;CS-0340579;FT-0738594

Chemical Property of Phenyl-pyridazin-3-yl-methanone

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 184.063662883
• Heavy Atom Count: 14
• Complexity: 200

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Phenyl-pyridazin-3-yl-methanone

There total 10 articles about Phenyl-pyridazin-3-yl-methanone 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: 94.0%

α-phenyl-α-(pyridazin-3-yl)-acetonitrile (66978-40-3) → phenyl (3-pyridazinyl) ketone (60906-52-7)

Guidance literature:

With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; In methanol; at 45 ℃; for 1.5h;

DOI:10.1080/00397919408011299

Reference yield: 85.0%

3-benzyl-pyridazine (60905-93-3) → phenyl (3-pyridazinyl) ketone (60906-52-7)

Guidance literature:

With selenium(IV) oxide; In acetic acid; at 100 ℃; for 1h;

Reference yield: 59.0%

pyridazine-3-carbonitrile (53896-49-4) + phenylmagnesium chloride → phenyl (3-pyridazinyl) ketone (60906-52-7)

Guidance literature:

In tetrahydrofuran; diethyl ether; for 2h; Ambient temperature;

upstream raw materials:

3-benzyl-pyridazine

pyridazine-3-carbonitrile

α-phenyl-α-(pyridazin-3-yl)-acetonitrile

phenyl(3-pyridazinyl)methanol

Downstream raw materials:

(Z)-ethyl-3-phenyl-3-(3-pyridazinyl)propenoate

(E)-ethyl 3-phenyl-3-(3-pyridazinyl)propenoate

(Z)-3-phenyl-3-(3-pyridazinyl)propenenitrile

(E)-3-phenyl-3-(3-pyridazinyl)propenenitrile

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