4-Isopropyl-1-phenyl-3,5-pyrazolidinedione

Base Information

• Chemical Name: 4-Isopropyl-1-phenyl-3,5-pyrazolidinedione
• CAS No.: 100135-00-0
• Molecular Formula: C12H14 N2 O2
• Molecular Weight: 218.2518
• DSSTox Substance ID: DTXSID20905220
• Nikkaji Number: J57.841J
• Mol file: 100135-00-0.mol

Synonyms:4-Isopropyl-1-phenyl-3,5-pyrazolidinedione;BRN 0187978;4-Isopropyl-1-phenyl-3,5-dioxopyrazolidine;100135-00-0;3,5-Pyrazolidinedione, 4-isopropyl-1-phenyl-;4-24-00-01111 (Beilstein Handbook Reference);DTXSID20905220;LS-128712;5-Hydroxy-2-phenyl-4-(propan-2-yl)-2,4-dihydro-3H-pyrazol-3-one

Chemical Property of 4-Isopropyl-1-phenyl-3,5-pyrazolidinedione

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.179g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 218.105527694
• Heavy Atom Count: 16
• Complexity: 295

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1C(=O)NN(C1=O)C2=CC=CC=C2

Technology Process of 4-Isopropyl-1-phenyl-3,5-pyrazolidinedione

There total 2 articles about 4-Isopropyl-1-phenyl-3,5-pyrazolidinedione 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: 85.5%

1-phenyl-4-isopropylidenepyrazolidine-3,5-dione (87343-68-8) → 4-isopropyl-1-phenyl-3,5-pyrazolidinedione (100135-00-0)

Guidance literature:

With sodium tetrahydroborate; In methanol; water; at 20 ℃; for 0.25h;

DOI:10.1007/s10593-007-0174-y

Reference yield:

diethyl isopropylmalonate (759-36-4) + phenylhydrazine (100-63-0) → 4-isopropyl-1-phenyl-3,5-pyrazolidinedione (100135-00-0)

Guidance literature:

With sodium ethanolate;

DOI:10.1002/hlca.19500330509

Reference yield:

4-isopropyl-1-phenyl-3,5-pyrazolidinedione (100135-00-0) + dimethyl sulfate (77-78-1) → 4-isopropyl-1-methyl-2-phenyl-pyrazolidine-3,5-dione

Guidance literature:

With sodium hydroxide;

DOI:10.1002/hlca.19500330509

upstream raw materials:

diethyl isopropylmalonate

phenylhydrazine

1-phenyl-4-isopropylidenepyrazolidine-3,5-dione

Downstream raw materials:

4-hydroxy-4-isopropyl-1-phenyl-pyrazolidine-3,5-dione