Kebuzone

Base Information

• Chemical Name: Kebuzone
• CAS No.: 853-34-9
• Molecular Formula: C19H18 N2 O3
• Molecular Weight: 322.364
• Hs Code.: 2933990090
• European Community (EC) Number: 212-715-7
• UNII: 4VD83UL6Y6
• DSSTox Substance ID: DTXSID00234500
• Nikkaji Number: J3.339A
• Wikipedia: Kebuzone
• Wikidata: Q1105900
• NCI Thesaurus Code: C79126
• Metabolomics Workbench ID: 49622
• ChEMBL ID: CHEMBL2107720
• Mol file: 853-34-9.mol

Synonyms:4-(3-oxobutyl)-1,2-diphenyl-3,5-pyrazolidinedione;Chebutan;chetofenilbutazon;chetofenilbutazone;Copirene;kebuzon;kebuzone;Ketazon;ketophenylbutazone;Phloguron;Racheton

Chemical Property of Kebuzone

Chemical Property:

• Vapor Pressure: 9.57E-09mmHg at 25°C
• Melting Point: 115.5-116.5° or 127.5-128.5° depending on cryst form
• Refractive Index: 1.6140 (estimate)
• Boiling Point: 462.8oC at 760mmHg
• Flash Point: 199.5oC
• PSA: 57.69000
• Density: 1.24 g/cm3
• LogP: 3.09680
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
• Water Solubility.: 174.2mg/L(20 oC)
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 322.13174244
• Heavy Atom Count: 24
• Complexity: 457

Purity/Quality:

99%, ^*data from raw suppliers

Kebuzone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3

Technology Process of Kebuzone

There total 7 articles about Kebuzone 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:

diphenyl hydrazine (122-66-7) → kebuzone (853-34-9)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanolic sodium ethylate

2: concentrated H₂SO₄

With sulfuric acid; sodium ethanolate;

Reference yield:

4-[2-(2-methyl-[1,3]dioxolan-2-yl)-ethyl]-1,2-diphenyl-pyrazolidine-3,5-dione (116604-64-9) → kebuzone (853-34-9)

Guidance literature:

With toluene-4-sulfonic acid; acetone;

DOI:10.1002/hlca.19570400219

Reference yield:

(3-oxybutyl)malonate ethylene ketal (7796-23-8) → kebuzone (853-34-9)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium methylate; benzene

2: toluene-4-sulfonic acid; acetone

With sodium methylate; toluene-4-sulfonic acid; acetone; benzene;

DOI:10.1002/hlca.19570400219

upstream raw materials:

4-[2-(2-methyl-[1,3]dioxolan-2-yl)-ethyl]-1,2-diphenyl-pyrazolidine-3,5-dione

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

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

1,2-diphenylpyrazolidine-3,5-dione

Downstream raw materials:

(3-Oxobutyl)tartronic dianilide

2,5-Dioxocaproic anilide

5,5-Dimethoxy-2-oxocaproic anilide

Methoxy-(3-oxo-butyl)malonic dianilide