3-(4-Fluorobenzyl)piperidine

Base Information

• Chemical Name: 3-(4-Fluorobenzyl)piperidine
• CAS No.: 382637-47-0
• Molecular Formula: C12H16 F N
• Molecular Weight: 193.264
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID20392419
• Nikkaji Number: J1.956.042B
• Mol file: 382637-47-0.mol

Synonyms:382637-47-0;3-(4-Fluorobenzyl)piperidine;3-(4-Fluoro-benzyl)-piperidine;3-[(4-fluorophenyl)methyl]piperidine;SCHEMBL3158864;DTXSID20392419;WATWKPHWUDHKGA-UHFFFAOYSA-N;MFCD05863601;racemic 3-(4-fluorobenzyl)piperidine;AKOS005266169;SB45792;CS-0451951;FT-0603809;FT-0603810;A18710;EN300-1275759;AR-527/43467602;J-510698

Chemical Property of 3-(4-Fluorobenzyl)piperidine

Chemical Property:

• Vapor Pressure: 0.00475mmHg at 25°C
• Boiling Point: 276.6oC at 760 mmHg
• Flash Point: 121.1oC
• PSA: 12.03000
• Density: 1.044g/cm3
• LogP: 2.69660
• 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: 164

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CNC1)CC2=CC=C(C=C2)F

Technology Process of 3-(4-Fluorobenzyl)piperidine

There total 15 articles about 3-(4-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%

t-Butyl (+)-3-(4-fluorobenzyl)-1-piperidinecarboxylate (382637-45-8) → 3-(4-fluorobenzyl)-piperidine (382637-47-0)

Guidance literature:

With hydrogenchloride; In ethyl acetate; at 18 ℃; for 17h;

Reference yield: 88.0%

3-(4-fluorobenzyl)-2-piperidone → 3-(4-fluorobenzyl)-piperidine (382637-47-0)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 15 - 30 ℃; for 2h; Large scale;

DOI:10.1021/op050202l

Reference yield: 76.0%

(4-fluorophenyl)(pyridin-3-yl)methanol (89901-51-9) → 3-(4-fluorobenzyl)-piperidine (382637-47-0)

Guidance literature:

With hydrogen; acetic acid; palladium on activated charcoal; at 80 ℃; under 7500.6 Torr;

DOI:10.1016/j.tet.2003.08.023

upstream raw materials:

(4-fluorophenyl)(pyridin-3-yl)methanol

t-Butyl (+)-3-(4-fluorobenzyl)-1-piperidinecarboxylate

3-oxo-piperidine-1-carboxylic acid tert-butyl ester

tert-butyl 3-(4-fluorobenzylidene)piperidin-1-carboxylate

Downstream raw materials:

(R)-3-(4-fluorobenzyl)piperidine

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N'-((1R,2S)-2-{[3(S)-(4-fluorobenzyl)piperidinyl]methyl}cyclohexyl)urea