Phenyl(phthalazin-1-yl)methanone

Base Information

• Chemical Name: Phenyl(phthalazin-1-yl)methanone
• CAS No.: 63536-23-2
• Molecular Formula: C15H10N2O
• Molecular Weight: 234.257
• DSSTox Substance ID: DTXSID20494068
• Nikkaji Number: J650.327F
• Wikidata: Q82341162
• Mol file: 63536-23-2.mol

Synonyms:Phenyl(phthalazin-1-yl)methanone;63536-23-2;1-Benzoylphthalazine;DTXSID20494068

Chemical Property of Phenyl(phthalazin-1-yl)methanone

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 234.079312947
• Heavy Atom Count: 18
• Complexity: 299

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=NN=CC3=CC=CC=C32

Technology Process of Phenyl(phthalazin-1-yl)methanone

There total 9 articles about Phenyl(phthalazin-1-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: 56.0%

PHTHALAZINE (253-52-1) + benzoic acid hydrazide (613-94-5) → 1-benzoylphthalazine (63536-23-2) + 1,4-dibenzoylphthalazine

Guidance literature:

With dipotassium peroxodisulfate; Eosin Y; In water; dimethyl sulfoxide; at 20 ℃; for 12h; regioselective reaction; Irradiation; Green chemistry;

DOI:10.1039/d1ra07063k

Reference yield: 51.0%

PHTHALAZINE (253-52-1) + Benzoylformic acid (611-73-4) → 1-benzoylphthalazine (63536-23-2) + 1,4-dibenzoylphthalazine

Guidance literature:

With dipotassium peroxodisulfate; In water; acetonitrile; at 20 - 37 ℃; for 15h; Irradiation; Green chemistry;

DOI:10.1002/adsc.201800692

Reference yield:

1-methoxyphthalazine (24953-56-8) → 1-benzoylphthalazine (63536-23-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) NaH / 1.) THF, reflux, 30 min, 2.) reflux

2: 1.) NaH, 2.) O₂ / 1.) THF, 5 min

With oxygen; sodium hydride;

DOI:10.3987/COM-90-5369

upstream raw materials:

1‐benzylphthalazine

α-Phenyl-1-phthalazinacetonitril

1-methoxyphthalazine

phenylacetonitrile

Downstream raw materials:

4-benzoylphthalazin-1(2H)-one