Timiperone

Base Information

• Chemical Name: Timiperone
• CAS No.: 57648-21-2
• Molecular Formula: C22H24 F N3 O S
• Molecular Weight: 397.516
• European Community (EC) Number: 260-880-9
• UNII: 626DQ7N19L
• DSSTox Substance ID: DTXSID9023673
• Nikkaji Number: J3.521A
• Wikipedia: Timiperone
• Wikidata: Q7806745
• NCI Thesaurus Code: C76451
• Metabolomics Workbench ID: 155853
• ChEMBL ID: CHEMBL2107117
• Mol file: 57648-21-2.mol

Synonyms:4'-fluoro-4-(4-(2-thioxo-1-benzimidazolinyl)piperidino)butyrophenone;DD 3480;timiperone

Chemical Property of Timiperone

Chemical Property:

• Vapor Pressure: 1.32E-12mmHg at 25°C
• Melting Point: 201-203 ºC
• Boiling Point: 560.8°C at 760 mmHg
• Flash Point: 293°C
• PSA: 73.12000
• Density: 1.31
• LogP: 5.07590
• Storage Temp.: Refrigerator
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 397.16241173
• Heavy Atom Count: 28
• Complexity: 558

Purity/Quality:

98%Min ^*data from raw suppliers

Timiperone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC1N2C3=CC=CC=C3NC2=S)CCCC(=O)C4=CC=C(C=C4)F
• Description: Timiperone is a butyrophenone neuroleptic agent closely related to benperidol.
• Uses: Butyrophenone derivative having neuroleptic activity, used as an antipsychotic.

Technology Process of Timiperone

There total 10 articles about Timiperone 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:

N-(1-{3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl}piperidin-4-yl)benzene-1,4-diamine (57718-48-6) → timiperone (57648-21-2)

Guidance literature:

With carbon disulfide; potassium hydroxide; In ethanol; for 3h; Yield given; Heating;

DOI:10.1248/cpb.30.719

Reference yield:

N-γ-pyridyl-o-phenylenediamine (65053-26-1) → timiperone (57648-21-2)

Guidance literature:

Multi-step reaction with 3 steps

1: 77.4 percent / xylene / 13 h / Heating

2: NaBH₄ / 2.5 h

3: KOH, CS₂ / ethanol / 3 h / Heating

With carbon disulfide; potassium hydroxide; sodium tetrahydroborate; In ethanol; xylene;

DOI:10.1248/cpb.30.719

Reference yield:

4-chlorpyridine hydrochloride (7379-35-3) → timiperone (57648-21-2)

Guidance literature:

Multi-step reaction with 4 steps

2: 77.4 percent / xylene / 13 h / Heating

3: NaBH₄ / 2.5 h

4: KOH, CS₂ / ethanol / 3 h / Heating

With carbon disulfide; potassium hydroxide; sodium tetrahydroborate; In ethanol; xylene;

DOI:10.1248/cpb.30.719

upstream raw materials:

N-(1-{3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl}piperidin-4-yl)benzene-1,4-diamine

N-γ-pyridyl-o-phenylenediamine

4-chlorpyridine hydrochloride

4-(2-aminoanilino)-1-<3-(4-fluorobenzoyl)propyl>pyridinium chloride ethylene acetal

Refernces

• 1、 -. "1,2 Disubstituted benzimidazole derivatives". . . Retrieved 2008/06/13.