1,2-Diphenyl-4-(3-chloro-2-butenyl)-3,5-pyrazolidinedione

Base Information

• Chemical Name: 1,2-Diphenyl-4-(3-chloro-2-butenyl)-3,5-pyrazolidinedione
• CAS No.: 10561-01-0
• Molecular Formula: C19H17 Cl N2 O2
• Molecular Weight: 340.809
• Nikkaji Number: J78.752C
• Wikidata: Q76387025
• Mol file: 10561-01-0.mol

Synonyms:CKP [German];Chlorkrotylpyrazolidin;Chlorkrotylpyrazolidin [German];BRN 0036611;1,2-Diphenyl-4-(3-chloro-2-butenyl)-3,5-pyrazolidinedione;4-(gamma-Chloro)-crotyl-1,2-diphenyl-3,5-pyrazolidinedione;3,5-Pyrazolidinedione, 4-(3-chloro-2-butenyl)-1,2-diphenyl-;C19H17ClN2O2;10561-01-0;CKP;LS-128627;4-(3-Chloro-2-butenyl)-1,2-diphenyl-3,5-pyrazolidinedione

Chemical Property of 1,2-Diphenyl-4-(3-chloro-2-butenyl)-3,5-pyrazolidinedione

Chemical Property:

• Vapor Pressure: 1.24E-08mmHg at 25°C
• Melting Point: 167-168 °C(Solv: water (7732-18-5); ethanol (64-17-5))
• Boiling Point: 459.7°Cat760mmHg
• PKA: 2.68±0.10(Predicted)
• Flash Point: 231.8°C
• PSA: 40.62000
• Density: 1.273g/cm³
• LogP: 4.26030
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 340.0978555
• Heavy Atom Count: 24
• Complexity: 472

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)Cl
• Isomeric SMILES: C/C(=C/CC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)/Cl

Technology Process of 1,2-Diphenyl-4-(3-chloro-2-butenyl)-3,5-pyrazolidinedione

There total 2 articles about 1,2-Diphenyl-4-(3-chloro-2-butenyl)-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:

1,2-diphenylpyrazolidine-3,5-dione (2652-77-9) + 1,3-dichloro-2-butene (926-57-8) → 4-(3-chloro-but-2-enyl)-1,2-diphenyl-pyrazolidine-3,5-dione (10561-01-0)

Guidance literature:

With sodium hydroxide;

Reference yield:

(3-chloro-but-2-enyl)-malonic acid diethyl ester (10553-86-3) + diphenyl hydrazine (122-66-7) → 4-(3-chloro-but-2-enyl)-1,2-diphenyl-pyrazolidine-3,5-dione (10561-01-0)

Guidance literature:

With sodium ethanolate;

Reference yield:

4-(3-chloro-but-2-enyl)-1,2-diphenyl-pyrazolidine-3,5-dione (10561-01-0) → kebuzone (853-34-9)

Guidance literature:

With sulfuric acid;

upstream raw materials:

1,2-diphenylpyrazolidine-3,5-dione

1,3-dichloro-2-butene

(3-chloro-but-2-enyl)-malonic acid diethyl ester

diphenyl hydrazine

Downstream raw materials:

4-but-2-enyl-1,2-diphenyl-pyrazolidine-3,5-dione

kebuzone