3-N-Methylspiperone

Base Information

• Chemical Name: 3-N-Methylspiperone
• CAS No.: 87539-19-3
• Molecular Formula: C24H28FN3O2
• Molecular Weight: 409.504
• UNII: 5U54JM2T8G
• DSSTox Substance ID: DTXSID70236379
• Nikkaji Number: J364.134A
• Wikipedia: N-Methylspiperone
• Wikidata: Q10859672
• Pharos Ligand ID: 293S1CUMRK74
• Metabolomics Workbench ID: 144597
• ChEMBL ID: CHEMBL267932
• Mol file: 87539-19-3.mol

Synonyms:3-N-methylspiperone;N-methylspiroperidol

Chemical Property of 3-N-Methylspiperone

Chemical Property:

• Vapor Pressure: 9.96E-15mmHg at 25°C
• Boiling Point: 608°Cat760mmHg
• Flash Point: 321.5°C
• PSA: 43.86000
• Density: 1.25g/cm³
• LogP: 3.50010
• Solubility.: 0.1 M HCl: soluble
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 409.21655531
• Heavy Atom Count: 30
• Complexity: 606

Purity/Quality:

N-Methylspiperone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Uses -> Biochemical Research
• Canonical SMILES: CN1CN(C2(C1=O)CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4

Technology Process of 3-N-Methylspiperone

There total 2 articles about 3-N-Methylspiperone 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:

spiperone (749-02-0) → N-methylspiperone (87539-19-3)

Guidance literature:

With sodium hydride; Multistep reaction; 1.) THF, RT, 5 min, 2.) RT, 2 h;

DOI:10.1021/jm00081a002

Reference yield:

→ N-methylspiperone (87539-19-3)

Guidance literature:

aus 1-Oxo-2-methyl-4-phenyl-2,4,8-triazaspiro<4.5>decan u. 3-(4-Fluorbenzoyl)-propylchlorid;

Reference yield:

N-methylspiperone (87539-19-3) → <18F>N-methylspiperone

Guidance literature:

With <18>F-cryptand<2.2.2>; potassium oxalate; potassium carbonate; In dimethyl sulfoxide; at 160 ℃; for 0.333333h; Yield given;

DOI:10.1246/cl.1995.835

upstream raw materials:

spiperone

Refernces