1-Phenyl-2-benzyl-3-methyl-5-pyrazolon

Base Information

• Chemical Name: 1-Phenyl-2-benzyl-3-methyl-5-pyrazolon
• CAS No.: 55774-20-4
• Molecular Formula: C17H16N2O
• Molecular Weight: 264.327
• DSSTox Substance ID: DTXSID801036319
• Mol file: 55774-20-4.mol

Synonyms:1-Phenyl-2-benzyl-3-methyl-5-pyrazolon;SCHEMBL5421935;DTXSID801036319;55774-20-4;1-benzyl-5-methyl-2-phenyl-1,2-dihydro-3h-pyrazol-3-one

Chemical Property of 1-Phenyl-2-benzyl-3-methyl-5-pyrazolon

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 264.126263138
• Heavy Atom Count: 20
• Complexity: 379

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=O)N(N1CC2=CC=CC=C2)C3=CC=CC=C3

Technology Process of 1-Phenyl-2-benzyl-3-methyl-5-pyrazolon

There total 6 articles about 1-Phenyl-2-benzyl-3-methyl-5-pyrazolon 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: 45.0%

benzyl bromide (100-39-0) + edaravone (89-25-8) → 1-benzyl-5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one (55774-20-4)

Guidance literature:

In acetonitrile; at 120 ℃; for 17h; Sealed tube; Darkness;

DOI:10.1002/ejoc.201300765

Reference yield: 37.1%

→ 1-benzyl-5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one (55774-20-4)

Guidance literature:

Reference yield:

phenylhydrazine (100-63-0) → 1-benzyl-5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one (55774-20-4)

Guidance literature:

Multi-step reaction with 2 steps

1: toluene / 17 h / 120 °C

2: acetonitrile / 17 h / 120 °C

In toluene; acetonitrile;

DOI:10.1039/c7ob02860a

upstream raw materials:

benzyl chloride

edaravone

3-methyl-1-phenylpyrazolin-5(4H)-one

benzyl bromide

Downstream raw materials:

3-methyl-1-phenylpyrazolin-5(4H)-one

antipyrine

4-benzyl-5-methyl-2-phenyl-1,2-dihydro-pyrazol-3-one

5-chloro-3-methyl-1-phenyl-1H-pyrazole