(S)-3-(4-Fluorobenzyl)piperidine

Base Information

• Chemical Name: (S)-3-(4-Fluorobenzyl)piperidine
• CAS No.: 275815-80-0
• Molecular Formula: C12H16 F N
• Molecular Weight: 193.264
• DSSTox Substance ID: DTXSID70479204
• Nikkaji Number: J1.830.000A
• Mol file: 275815-80-0.mol

Synonyms:(S)-3-(4-Fluorobenzyl)piperidine;275815-80-0;(3S)-3-[(4-FLUOROPHENYL)METHYL]PIPERIDINE;Piperidine, 3-[(4-fluorophenyl)methyl]-, (3S)-;piperidine,3-[(4-fluorophenyl)methyl]-,(3s)-;(S)-3-(4-FLUORO-BENZYL)-PIPERIDINE;(S)-3-(4-fluorobenzyl)-piperidine;SCHEMBL3466554;DTXSID70479204;WATWKPHWUDHKGA-NSHDSACASA-N;(S)-3-(4-flourobenzyl)-piperdine;MFCD09842215;AKOS006327094;AS-67006;CS-0311852;A18563;W10118

Chemical Property of (S)-3-(4-Fluorobenzyl)piperidine

Chemical Property:

• Vapor Pressure: 0.00475mmHg at 25°C
• Refractive Index: 1.512
• Boiling Point: 276.6°C at 760 mmHg
• PKA: 10.27±0.10(Predicted)
• Flash Point: 121.1°C
• 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

(S)-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
• Isomeric SMILES: C1C[C@H](CNC1)CC2=CC=C(C=C2)F

Technology Process of (S)-3-(4-Fluorobenzyl)piperidine

There total 16 articles about (S)-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: 94.0%

→ [(S)-3-(4-fluorobenzyl)-piperidin-1-yl]-[(3R,4S)-4-((R)-1-phenyl-ethylamino)-tetrahydrothiophen-3-yl]-methanone (388114-49-6) + (S)-3-(4-fluorobenzyl)-piperidine (275815-80-0)

Guidance literature:

Reference yield:

(3S)-3-(4-fluorobenzyl)piperidine, mandelic acid salt (813445-42-0) → (S)-3-(4-fluorobenzyl)-piperidine (275815-80-0)

Guidance literature:

With sodium hydroxide; In dichloromethane; water; at 20 ℃; for 0.25h;

Reference yield:

(3S)-3-(4-fluorobenzyl)piperidine (R)-(-)-mandelate salt → (S)-3-(4-fluorobenzyl)-piperidine (275815-80-0)

Guidance literature:

With sodium hydroxide; In water; ethyl acetate; at 20 ℃;

upstream raw materials:

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

(S)-3-(4-fluorobenzyl)-2-piperidone

N-benzyl-3-piperidinone hydrochloride

piperidin-3-one

Downstream raw materials:

C₂₆H₃₃FN₂O₂

(3R,4S)-3-[(S)-3-(4-fluorobenzyl)-piperidine-1-carbonyl]-4-[(R)-1-phenyl-ethylamino]-pyrrolidine-1-carboxylic acid tert-butyl ester

[(S)-3-(4-fluorobenzyl)-piperidin-1-yl]-[(3R,4S)-4-((R)-1-phenyl-ethylamino)-tetrahydrothiophen-3-yl]-methanone

(3S)-1-[(2E)-2-butenoyl]-3-(4-fluorobenzyl)piperidine