Bifeprunox

Base Information

• Chemical Name: Bifeprunox
• CAS No.: 350992-10-8
• Molecular Formula: C24H23N3O2
• Molecular Weight: 385.466
• Hs Code.: 2934999090
• UNII: AP69E83Z79
• DSSTox Substance ID: DTXSID80188592
• Nikkaji Number: J1.590.671E
• Wikipedia: Bifeprunox
• Wikidata: Q4904729
• NCI Thesaurus Code: C65262
• Pharos Ligand ID: S9VAB5VJFNMD
• Metabolomics Workbench ID: 149318
• ChEMBL ID: CHEMBL218166
• Mol file: 350992-10-8.mol

Synonyms:bifeprunox;bifeprunox mesilate;DU-127090;DU127090

Chemical Property of Bifeprunox

Chemical Property:

• Refractive Index: 1.643
• PSA: 52.48000
• Density: 1.247 g/cm³
• LogP: 4.11320
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 385.17902698
• Heavy Atom Count: 29
• Complexity: 556

Purity/Quality:

97% ^*data from raw suppliers

Bifeprunox ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1CC2=CC(=CC=C2)C3=CC=CC=C3)C4=CC=CC5=C4OC(=O)N5
• Recent ClinicalTrials: Treatment of Elderly Subjects With Psychosis and Behavioral Disturbances Associated With Dementia of the Alzheimer's Type
• Recent EU Clinical Trials: A one-year multinational, multi-centre, randomised, double-blind, parallel-group, fixed-dose, bifeprunox study combining a 12 week placebo-controlled, quetiapine-referenced phase with a 12-month quetiapine-controlled phase in patients with schizophrenia.
• Uses: Acute schizophrenia.

Technology Process of Bifeprunox

There total 10 articles about Bifeprunox 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: 96.0%

4-(3-amino-2-hydroxyphenyl)-1-(3-phenylbenzyl)piperazine + 1,1'-carbonyldiimidazole (530-62-1) → bifeprunox (350992-10-8)

Guidance literature:

In tetrahydrofuran; for 6h; Reflux;

DOI:10.3987/COM-13-S(S)120

Reference yield: 40.0%

3-(bromomethyl)-1,1'-biphenyl (14704-31-5) + 7-(piperazin-1-yl)benzo[d]oxazol-2(3H)-one → bifeprunox (350992-10-8)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; potassium iodide; In acetonitrile; at 80 ℃; for 4h;

Reference yield:

Bifeprunox mesylate → bifeprunox (350992-10-8)

Guidance literature:

With sodium hydrogencarbonate; In butanone; for 0.25 - 0.416667h;

upstream raw materials:

3-(bromomethyl)-1,1'-biphenyl

m-bromobenzoic aldehyde

1,1'-carbonyldiimidazole

biphenyl-3-carbaldehyde