Moperone

Base Information

• Chemical Name: Moperone
• CAS No.: 1050-79-9
• Molecular Formula: C22H26 F N O2
• Molecular Weight: 355.452
• Hs Code.: 2933399090
• European Community (EC) Number: 213-887-6
• UNII: OU730881W5
• DSSTox Substance ID: DTXSID6049062
• Nikkaji Number: J7.228A
• Wikipedia: Moperone
• Wikidata: Q6908807
• NCI Thesaurus Code: C66190
• Pharos Ligand ID: GWCM6S1GC5KN
• Metabolomics Workbench ID: 154351
• ChEMBL ID: CHEMBL2104700
• Mol file: 1050-79-9.mol

Synonyms:4'-fluoro-4-(4-hydroxy-4-4-tolylpiperidino)butyrophenone;methylperidol;moperone;moperone hydrochloride

Chemical Property of Moperone

Chemical Property:

• Vapor Pressure: 1.52E-11mmHg at 25°C
• Melting Point: 118-119°C
• Boiling Point: 517.7°Cat760mmHg
• Flash Point: 266.9°C
• PSA: 40.54000
• Density: 1.155g/cm³
• LogP: 4.01850
• Storage Temp.: -20°C Freezer
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 355.19475723
• Heavy Atom Count: 26
• Complexity: 445

Purity/Quality:

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

Moperone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)O
• Uses: Antipsychotic

Technology Process of Moperone

There total 8 articles about Moperone 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: 80.0%

4-hydroxy-4-(4-methylphenyl)-piperidine (57988-60-0) + 4-(4-fluorophenyl)-4-oxo-n-butyl chloride (3874-54-2,41167-07-1) → moperone (1050-79-9)

Guidance literature:

With sodium hydrogencarbonate; potassium iodide; In toluene; for 24h; Reflux;

DOI:10.1021/acs.jmedchem.9b00864

Reference yield:

1-(p-fluorophenyl)-4-[4-hydroxy-4-(p-methylphenyl)-piperidino]-1-butanol → moperone (1050-79-9)

Guidance literature:

In water;

Reference yield:

para-bromotoluene (106-38-7) → moperone (1050-79-9)

Guidance literature:

Multi-step reaction with 3 steps

1.1: n-butyllithium / tetrahydrofuran / 0.5 h / -78 °C

1.2: 2 h / -78 °C

2.1: hydrogenchloride / 1,4-dioxane / 2 h / 20 °C

3.1: potassium iodide; sodium hydrogencarbonate / toluene / 24 h / Reflux

With hydrogenchloride; n-butyllithium; sodium hydrogencarbonate; potassium iodide; In tetrahydrofuran; 1,4-dioxane; toluene;

DOI:10.1021/acs.jmedchem.9b00864

upstream raw materials:

4-hydroxy-4-(4-methylphenyl)-piperidine

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

fluorobenzene

4-Bromo-4-p-tolyl-piperidine

Refernces

• 1、 -. "Phenylbutanol derivatives". . . Retrieved 2008/06/13.