4-(2-Fluorobenzyl)piperidine

Base Information

• Chemical Name: 4-(2-Fluorobenzyl)piperidine
• CAS No.: 194288-97-6
• Molecular Formula: C12H16FN
• Molecular Weight: 193.264
• DSSTox Substance ID: DTXSID50444758
• Nikkaji Number: J1.126.654A
• Wikidata: Q72479359
• Mol file: 194288-97-6.mol

Synonyms:4-(2-fluorobenzyl)piperidine;194288-97-6;4-[(2-fluorophenyl)methyl]piperidine;SCHEMBL3965587;DTXSID50444758;HPTZGYXMDTTYBG-UHFFFAOYSA-N;MFCD09756527;AKOS011791284;SB41923;4-[(2-fluorophenyl)-methyl]-piperidine;AM20030261;FT-0732333;EN300-73658;F8889-5912

Chemical Property of 4-(2-Fluorobenzyl)piperidine

Chemical Property:

• Boiling Point: 280.987 °C at 760 mmHg
• Flash Point: 123.737 °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-(2-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=C2F

Technology Process of 4-(2-Fluorobenzyl)piperidine

There total 7 articles about 4-(2-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:

1-benzyl-4-(2-fluorobenzyl)-piperidine → 4-(2-fluorobenzyl)piperidine (194288-97-6)

Guidance literature:

With hydrogen; palladium dihydroxide; In ethanol; for 15h; under 2585.81 Torr;

Reference yield:

4-[(2-fluorophenyl)methylene]-1-(phenylmethyl)piperidine (1026545-07-2) → 4-(2-fluorobenzyl)piperidine (194288-97-6)

Guidance literature:

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

DOI:10.1021/jm030483s

Reference yield:

2-fluorobenzyl chloride (345-35-7) → 4-(2-fluorobenzyl)piperidine (194288-97-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 15 h / 150 °C

2: 1,3-dimethyl-2-imidazolidinone; sodium hydride / 0.33 h / 20 °C

3: H₂ / Pd(OH)2/C / ethanol / 15 h / 20 °C / 2585.74 Torr

With 1,3-dimethyl-2-imidazolidinone; hydrogen; sodium hydride; palladium dihydroxide; In ethanol; 2: Horner-Emmons reaction;

DOI:10.1021/jm030483s

upstream raw materials:

4-[(2-fluorophenyl)methylene]-1-(phenylmethyl)piperidine

1-phenylmethyl-4-piperidone

2-fluoro-1-diethylphosphonomethyl-benzene

2-fluorobenzyl chloride

Downstream raw materials:

1-(4-(2-Fluoro)benzylpiperidinecarbonyl)methyl-5-cyanoindole