Milenperone

Base Information

• Chemical Name: Milenperone
• CAS No.: 59831-64-0
• Molecular Formula: C22H23 Cl F N3 O2
• Molecular Weight: 415.895
• European Community (EC) Number: 261-947-5
• UNII: 9GC5JKP4BD
• DSSTox Substance ID: DTXSID60208560
• Nikkaji Number: J18.320B
• Wikidata: Q27272527
• NCI Thesaurus Code: C66151
• Metabolomics Workbench ID: 155844
• ChEMBL ID: CHEMBL2106976
• Mol file: 59831-64-0.mol

Synonyms:5-chloro-1-(3-(4-(4-fluorobenzoyl)-1-piperidinyl)propyl)-1,3-dihydro-2H-benzimidazol-2-one;milenperone

Chemical Property of Milenperone

Chemical Property:

• Melting Point: >125°C (dec.)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 58.36000
• Density: 1.287g/cm³
• LogP: 4.45730
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 415.1462828
• Heavy Atom Count: 29
• Complexity: 591

Purity/Quality:

99% ^*data from raw suppliers

Milenperone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCCN3C4=C(C=C(C=C4)Cl)NC3=O
• Uses: A specific serotonin-S2 antagonist. A selective drug for the control of behavioral disorders in epileptic and alcoholic patients.

Technology Process of Milenperone

There total 2 articles about Milenperone 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-fluorophenyl)-piperidin-4-ylmethanone (56346-57-7) + chloroform (67-66-3,8013-54-5) + 4-methyl-2-pentanone (108-10-1) + 5-chloro-1-(3-methanesulfonyloxy-propyl)-1,3-dihydro-benzoimidazol-2-one (62780-79-4) → 5-chloro-1-{3-[4-(4-fluorobenzoyl)-1-piperidinyl] propyl}-1,3-dihydro-2H-benzimidazol-2-one (59831-64-0)

Guidance literature:

With sodium carbonate;

Reference yield:

→ 5-chloro-1-{3-[4-(4-fluorobenzoyl)-1-piperidinyl] propyl}-1,3-dihydro-2H-benzimidazol-2-one (59831-64-0)

Guidance literature:

Entspr. Methansulfonat (E XVIII), (4-Fluorphenyl)(4-piperidinyl)methanon*HCl;

upstream raw materials:

(4-fluorophenyl)-piperidin-4-ylmethanone

chloroform

4-methyl-2-pentanone

5-chloro-1-(3-methanesulfonyloxy-propyl)-1,3-dihydro-benzoimidazol-2-one