1-Methyl-4-piperidyl 4'-fluorobenzoate

Base Information

• Chemical Name: 1-Methyl-4-piperidyl 4'-fluorobenzoate
• CAS No.: 102698-53-3
• Molecular Formula: C13H16 F N O2
• Molecular Weight: 237.27
• DSSTox Substance ID: DTXSID90145459
• Wikidata: Q83010017
• ChEMBL ID: CHEMBL37274
• Mol file: 102698-53-3.mol

Synonyms:1-methyl-4-piperidyl 4'-fluorobenzoate;1-methyl-4-piperidyl 4'-fluorobenzoate hydrochloride;M4P 4'-fluorobenzoate

Chemical Property of 1-Methyl-4-piperidyl 4'-fluorobenzoate

Chemical Property:

• Boiling Point: 309.6°Cat760mmHg
• Flash Point: 141°C
• PSA: 29.54000
• Density: 1.17g/cm³
• LogP: 2.01460
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 237.11650692
• Heavy Atom Count: 17
• Complexity: 256

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC(CC1)OC(=O)C2=CC=C(C=C2)F

Technology Process of 1-Methyl-4-piperidyl 4'-fluorobenzoate

There total 2 articles about 1-Methyl-4-piperidyl 4'-fluorobenzoate 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: 42.0%

N-methyl-4-hydroxypiperidine (106-52-5) + 4-fluorobenzoyl chloride (403-43-0) → N-methylpiperidin-4-yl 4-fluorobenzoate (102698-53-3)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 16h; Inert atmosphere;

DOI:10.3109/14756366.2011.647008 DOI:10.3109/14756366.2011.647008

Reference yield:

→ N-methylpiperidin-4-yl 4-fluorobenzoate (102698-53-3)

Guidance literature:

1-Methyl-4-piperidinol, Py., entspr. Saeurechlorid;

DOI:10.1021/jm00205a007

upstream raw materials:

N-methyl-4-hydroxypiperidine

4-fluorobenzoyl chloride

Refernces

• 1、 Macdonald, Ian R.,Jollymore, Courtney T.,Reid, G. Andrew,Pottie, Ian R.,Martin, Earl,Darvesh, Sultan. "Thioesters for the in vitro evaluation of agents to image brain cholinesterases". . p. 447 - 455. Retrieved 2013/05/21.