1-(1-Imino-2-(2-(phenylthio)phenyl)ethyl)piperidine hydrochloride

Base Information

• Chemical Name: 1-(1-Imino-2-(2-(phenylthio)phenyl)ethyl)piperidine hydrochloride
• CAS No.: 117596-37-9
• Molecular Formula: C₁₉H₂₂N₂S*ClH
• Molecular Weight: 346.924
• DSSTox Substance ID: DTXSID70922467
• Mol file: 117596-37-9.mol

Synonyms:1-(1-Imino-2-(2-(phenylthio)phenyl)ethyl)piperidine hydrochloride;N,N-Pentamethylene-2-((phenylthio)phenyl)acetamidine hydrochloride;Piperidine, 1-(1-imino-2-(2-(phenylthio)phenyl)ethyl)-, monohydrochloride;117596-37-9;DTXSID70922467;LS-115575;2-[2-(Phenylsulfanyl)phenyl]-1-(piperidin-1-yl)ethan-1-imine--hydrogen chloride (1/1)

Chemical Property of 1-(1-Imino-2-(2-(phenylthio)phenyl)ethyl)piperidine hydrochloride

Chemical Property:

• Vapor Pressure: 8.66E-08mmHg at 25°C
• Boiling Point: 435.6°C at 760 mmHg
• Flash Point: 217.2°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 346.1270476
• Heavy Atom Count: 23
• Complexity: 345

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)C(=N)CC2=CC=CC=C2SC3=CC=CC=C3.Cl

Technology Process of 1-(1-Imino-2-(2-(phenylthio)phenyl)ethyl)piperidine hydrochloride

There total 2 articles about 1-(1-Imino-2-(2-(phenylthio)phenyl)ethyl)piperidine hydrochloride 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: 83.0%

piperidine (110-89-4) + ethyl (2-(phenylthio)phenyl)acetimidate hydrochloride (117596-34-6) → N,N-pentamethylene-(2-(phenylthio)phenyl)acetamidine hydrochloride (117596-37-9)

Guidance literature:

In ethanol; for 7h; Heating;

Reference yield:

2-phenylthiophenylacetonitrile (1527-16-8) → N,N-pentamethylene-(2-(phenylthio)phenyl)acetamidine hydrochloride (117596-37-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 69 percent / HCl / diethyl ether / 0 °C

2: 83 percent / ethanol / 7 h / Heating

With hydrogenchloride; In diethyl ether; ethanol;

upstream raw materials:

piperidine

ethyl (2-(phenylthio)phenyl)acetimidate hydrochloride

2-phenylthiophenylacetonitrile