4-(3-Fluorobenzyl)piperidine

Base Information

• Chemical Name: 4-(3-Fluorobenzyl)piperidine
• CAS No.: 202126-85-0
• Molecular Formula: C12H16FN
• Molecular Weight: 193.264
• European Community (EC) Number: 839-257-6
• DSSTox Substance ID: DTXSID10444057
• Nikkaji Number: J1.126.656H
• Wikidata: Q72479354
• Mol file: 202126-85-0.mol

Synonyms:4-(3-Fluorobenzyl)piperidine;202126-85-0;4-(3-Fluoro-benzyl)-piperidine;4-[(3-fluorophenyl)methyl]piperidine;Piperidine, 4-[(3-fluorophenyl)methyl]-;SCHEMBL3966432;DTXSID10444057;ZXAPMANOWGBURM-UHFFFAOYSA-N;MFCD05863562;AKOS009810130;AB22524;Piperidine,4-[(3-fluorophenyl)methyl]-;CS-0216449;FT-0646995;EN300-43500;AB00999436-01;AR-527/43467595;J-013126;F8881-5399

Chemical Property of 4-(3-Fluorobenzyl)piperidine

Chemical Property:

• Vapor Pressure: 0.004mmHg at 25°C
• Refractive Index: 1.513
• Boiling Point: 278.583 °C at 760 mmHg
• Flash Point: 122.283 °C
• PSA: 12.03000
• Density: 1.045 g/cm³
• LogP: 2.69660
• Storage Temp.: 2-8°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 193.126677677
• Heavy Atom Count: 14
• Complexity: 166

Purity/Quality:

98%min ^*data from raw suppliers

4-(3-Fluorobenzyl)piperidine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCCC1CC2=CC(=CC=C2)F
• Uses: 4-(3-Fluorobenzyl)piperidine is used to prepare methylaspartate receptor antagonists with analgesic activity for neuropathic pain.

Technology Process of 4-(3-Fluorobenzyl)piperidine

There total 14 articles about 4-(3-Fluorobenzyl)piperidine 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: 99.0%

tert-butyl 4-(3-fluorobenzyl)piperidine-1-carboxylate → 4-(3-fluorobenzyl)piperidine (202126-85-0)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; at 25 ℃; for 2h;

Reference yield: 50.5%

(R,S)-(3-fluorophenyl)(pyridin-4-yl)methanol (782504-42-1) → 4-(3-fluorobenzyl)piperidine (202126-85-0)

Guidance literature:

With hydrogen; acetic acid; at 80 ℃; for 18h; under 22502.3 Torr;

Reference yield:

1-benzyl-4-(3-fluorobenzylidene)piperidine (193203-93-9) → 4-(3-fluorobenzyl)piperidine (202126-85-0)

Guidance literature:

With hydrogen; palladium dihydroxide; In ethanol; at 20 ℃; for 15h; under 2585.74 Torr;

DOI:10.1021/jm030483s

upstream raw materials:

1-benzyl-4-(3-fluorobenzylidene)piperidine

1-phenylmethyl-4-piperidone

3-fluoro-1-diethylphosphonomethyl-benzene

m-fluorobenzyl chloride

Downstream raw materials:

4-(3-fluoro-benzyl)-1-prop-2-ynyl-piperidine

1-ethyl-4-(3-fluorobenzyl)piperidine

2-(1-ethylpiperidine-4-ylmethyl)-4-fluorobenzenesulfonyl chloride

Refernces

• 1、 -. "NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS". . . Retrieved 2015/07/07.
• 2、 -. "PARTIALLY SATURATED TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME". . . Retrieved 2012/12/13.