Feclobuzone

Base Information

• Chemical Name: Feclobuzone
• CAS No.: 23111-34-4
• Molecular Formula: C₂₇H₂₅ClN₂O₄
• Molecular Weight: 476.959
• Hs Code.: 2933990090
• UNII: R6889JIL5D
• DSSTox Substance ID: DTXSID70177677
• Nikkaji Number: J11.462F
• Wikidata: Q27287847
• NCI Thesaurus Code: C65631
• Metabolomics Workbench ID: 155717
• ChEMBL ID: CHEMBL2104250
• Mol file: 23111-34-4.mol

Synonyms:Feclobuzone;23111-34-4;Feclobuzone [INN];Feclobuzon;Feclobuzonum;AE-9;AE 9;UNII-R6889JIL5D;R6889JIL5D;p-Chlorobenzoic acid, ester with 4-butyl-4-(hydroxymethyl)-1,2-diphenyl-3,5-pyrazolidinedione;C27H25ClN2O4;(4-Butyl-3,5-diphenyl-4-pyrazolidinyl)methyl 4-chlorbenzoat;4-Chlorbenzoesaeure ester mil 4-butyl-4-(hydroxymethyl)-1,2-diphenyl-3,5-pyrazolidindion;(4-butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)methyl 4-chlorobenzoate;SCHEMBL2111279;CHEMBL2104250;DTXSID70177677;CHEBI:135773;C27-H25-Cl-N2-O4;AKOS040751779;Q27287847;Benzoic acid, 4-chloro-, (4-butyl-3,5-dioxo-1,2-diphenyl-4-pyrazolidinyl)methyl ester;Benzoic acid, p-chloro-, ester with 4-butyl-4-(hydroxymethyl)-1,2-diphenyl-3,5-pyrazolidinedione

Chemical Property of Feclobuzone

Chemical Property:

• Vapor Pressure: 2.27E-13mmHg at 25°C
• Boiling Point: 578.3°Cat760mmHg
• PKA: -1.16±0.40(Predicted)
• Flash Point: 303.5°C
• PSA: 66.92000
• Density: 1.266g/cm³
• LogP: 5.79840
• XLogP3: 6.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 476.1502850
• Heavy Atom Count: 34
• Complexity: 688

Purity/Quality:

95-99% ^*data from raw suppliers

FECLOBUZONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)COC(=O)C4=CC=C(C=C4)Cl
• Therapeutic Function: Antiinflammatory, Analgesic

Technology Process of Feclobuzone

There total 1 articles about Feclobuzone 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:

→ 4-butyl-4-(4-chloro-benzoyloxymethyl)-1,2-diphenyl-pyrazolidine-3,5-dione (23111-34-4)

Guidance literature:

Hydroxymethylverb. (II), p-Chlor-benzoylchlorid;