Bromperidol

Base Information

• Chemical Name: Bromperidol
• CAS No.: 10457-90-6
• Molecular Formula: C21H23BrFNO2
• Molecular Weight: 420.322
• Hs Code.: 2933399090
• European Community (EC) Number: 233-943-3
• NSC Number: 759275
• UNII: LYH6F7I22E
• DSSTox Substance ID: DTXSID0022690
• Nikkaji Number: J10.460D
• Wikipedia: Bromperidol
• Wikidata: Q4973749
• NCI Thesaurus Code: C76439
• Pharos Ligand ID: GMHSC2CDPHU8
• Metabolomics Workbench ID: 153394
• ChEMBL ID: CHEMBL28218
• Mol file: 10457-90-6.mol

Synonyms:bromoperidol;bromperidol;bromperidol hydrochloride;bromperidol, 82Br-labeled;C-C 2489-21;Impromen;R 11,333;Tesoprel

Chemical Property of Bromperidol

Chemical Property:

• Appearance/Colour: Tan solid
• Vapor Pressure: 1.19E-12mmHg at 25°C
• Melting Point: 156-158 °C
• Refractive Index: 1.59
• Boiling Point: 543.598 °C at 760 mmHg
• PKA: 8.6-8.7(at 25℃)
• Flash Point: 282.558 °C
• PSA: 40.54000
• Density: 1.367 g/cm³
• LogP: 4.47260
• Storage Temp.: Refrigerator
• Solubility.: H2O: insoluble
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 419.08962
• Heavy Atom Count: 26
• Complexity: 451

Purity/Quality:

98%,99%, ^*data from raw suppliers

Bromperidol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC1(C2=CC=C(C=C2)Br)O)CCCC(=O)C3=CC=C(C=C3)F
• Recent ClinicalTrials: Evaluation of the Necessity of Long-term Pharmacological Treatment With Antipsychotics in Schizophrenic Patients
• Recent EU Clinical Trials: English: Are Antipsychotics Neurotoxic or Neuroprotective? A Randomised Multicentre Longitudinal Study for Comparison of Two Therapy Strategies for the Treatment of Schizophrenia.
• Uses: Bromine analog of Haloperidol. Antipsychotic analgesic, antiinflammatory

Technology Process of Bromperidol

There total 4 articles about Bromperidol 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: 79.0%

4-<4-<4-(trimethylstannyl)phenyl>-4-hydroxypiperidino>-4'-fluorobutyrophenone (97042-48-3) → bromperidol (10457-90-6)

Guidance literature:

With bromine; In chloroform; for 0.5h;

DOI:10.1021/jm00147a035

Reference yield: 60.0%

4-<4-hydroxy-4-(4-aminophenyl)piperidinyl>-1-(4-fluorophenyl)butanone (114361-10-3) → bromperidol (10457-90-6)

Guidance literature:

With nitric oxide; copper(ll) bromide; In tetrahydrofuran; at 0 - 20 ℃; for 1.5h;

DOI:10.1021/jm00175a014

Reference yield: 24.0%

4-(4-fluorophenyl)-4-oxo-n-butyl chloride (3874-54-2,41167-07-1) + 4-(4-bromophenyl)-4-hydroxy-piperidine (57988-58-6) → bromperidol (10457-90-6)

Guidance literature:

With sodium carbonate; sodium iodide; In acetonitrile; for 12h; Reflux;

DOI:10.1016/j.ejmech.2017.07.030

upstream raw materials:

4-<4-<4-(trimethylstannyl)phenyl>-4-hydroxypiperidino>-4'-fluorobutyrophenone

4-<4-hydroxy-4-(4-aminophenyl)piperidinyl>-1-(4-fluorophenyl)butanone

4-(4-fluorophenyl)-4-oxo-n-butyl chloride

4-(4-bromophenyl)-4-hydroxy-piperidine

Downstream raw materials:

4-(4-fluorophenyl)-4-oxopropionic acid

Refernces

• 1、 Moerlein, Stephen M.,Stoecklin, Gerhard L.. "Synthesis of High Specific Activity - and Bromperidol and Tissue Distribution Studies in the Rat". . p. 1319 - 1324. Retrieved 1985.
• 2、 Vincent,Shambhu,Digenis. "Synthesis of [82Br]bromperidol and preliminary tissue distribution studies in the rat.". . p. 75 - 79. Retrieved 2007/10/02.