1-[2-(Phenylthio)ethyl]piperidine

Base Information

• Chemical Name: 1-[2-(Phenylthio)ethyl]piperidine
• CAS No.: 1209-11-6
• Molecular Formula: C₁₃H₁₉NS
• Molecular Weight: 221.367
• DSSTox Substance ID: DTXSID101299930
• Nikkaji Number: J3.143.104B
• Mol file: 1209-11-6.mol

Synonyms:1-[2-(Phenylthio)ethyl]piperidine;SCHEMBL11536449;DTXSID101299930;AKOS017282985;1209-11-6

Chemical Property of 1-[2-(Phenylthio)ethyl]piperidine

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 221.12382078
• Heavy Atom Count: 15
• Complexity: 160

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCN(CC1)CCSC2=CC=CC=C2

Technology Process of 1-[2-(Phenylthio)ethyl]piperidine

There total 5 articles about 1-[2-(Phenylthio)ethyl]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: 87.0%

N-chloroethylpiperidine hydrochloride (2008-75-5) + thiophenol (108-98-5) → 1-[2-(phenylthio)ethyl]piperidine (1209-11-6)

Guidance literature:

With sodium hydroxide; In ethanol; for 4h; Reflux;

DOI:10.1021/acs.jmedchem.7b00908

Reference yield:

2-chloroethyl benzenesulfonate (16670-48-7) → 1-[2-(phenylthio)ethyl]piperidine (1209-11-6)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaOH solution

2: toluene

With sodium hydroxide; toluene;

DOI:10.1021/ja01140a031

Reference yield:

piperidine (110-89-4) + 2-Chloroethyl phenyl sulfide (5535-49-9) → 1-[2-(phenylthio)ethyl]piperidine (1209-11-6)

Guidance literature:

With toluene;

DOI:10.1021/ja01140a031

upstream raw materials:

piperidine

2-Chloroethyl phenyl sulfide

2-(piperidin-4-yl)ethyl chloride

thiophenol

Downstream raw materials:

phenylthioethylene

C₁₃H₁₉Cl₂NPdS

1-[2-(phenylthio)ethyl]piperidine hydrochloride

1-(2-benzenesulfonyl-ethyl)-piperidine