4-Benzylidene-1-phenyl-pyrazolidine-3,5-dione

Base Information

• Chemical Name: 4-Benzylidene-1-phenyl-pyrazolidine-3,5-dione
• CAS No.: 15083-26-8
• Molecular Formula: C16H12 N2 O2
• Molecular Weight: 264.283
• NSC Number: 243574
• DSSTox Substance ID: DTXSID80356815
• Wikidata: Q82136398
• ChEMBL ID: CHEMBL1343647
• Mol file: 15083-26-8.mol

Synonyms:4-Benzylidene-1-phenyl-pyrazolidine-3,5-dione;15083-26-8;MLS003115254;NSC243574;MLS001207412;(4Z)-4-benzylidene-5-hydroxy-2-phenyl-2,4-dihydro-3H-pyrazol-3-one;CHEMBL1343647;DTXSID80356815;HMS1671B21;HMS2815D06;STL412121;AKOS000439480;AKOS025255413;NSC-243574;SMR000515813;SR-01000356175;SR-01000356175-1

Chemical Property of 4-Benzylidene-1-phenyl-pyrazolidine-3,5-dione

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.316g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 264.089877630
• Heavy Atom Count: 20
• Complexity: 418

Purity/Quality:

85.0-99.8% ^*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=C2C(=O)NN(C2=O)C3=CC=CC=C3
• Isomeric SMILES: C1=CC=C(C=C1)/C=C\2/C(=O)NN(C2=O)C3=CC=CC=C3

Technology Process of 4-Benzylidene-1-phenyl-pyrazolidine-3,5-dione

There total 4 articles about 4-Benzylidene-1-phenyl-pyrazolidine-3,5-dione 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: 90.0%

1-phenyl-pyrazolidine-3,5-dione (19933-22-3) + benzaldehyde (100-52-7) → 4-benzylidene-1-phenyl-3,5-pyrazolidinedione (15083-26-8)

Guidance literature:

In neat (no solvent); for 0.75h; Heating; Green chemistry;

DOI:10.1002/jhet.3898

Reference yield:

phenylhydrazine (100-63-0) → 4-benzylidene-1-phenyl-3,5-pyrazolidinedione (15083-26-8)

Guidance literature:

Multi-step reaction with 3 steps

1: diethyl ether

2: alkaline solution

With diethyl ether; alkaline solution;

Reference yield:

malonic acid ethyl ester-(N'-phenyl-hydrazide) → 4-benzylidene-1-phenyl-3,5-pyrazolidinedione (15083-26-8)

Guidance literature:

Multi-step reaction with 2 steps

1: alkaline solution

With alkaline solution;

upstream raw materials:

1-phenyl-pyrazolidine-3,5-dione

benzaldehyde

phenylhydrazine

Downstream raw materials:

1-phenyl-3.5-dioxo-4-phenyliminomethyl-pyrazolidine

1-phenyl-2-methyl-4-benzyliden-3,5-dioxopyrazolidine

1-phenyl-2,4-dimethyl-4-(α-methoxybenzyl)-3,5-dioxopyrazolidine

1,5-diphenyl-4-pyrazolin-3-one