1-(1-Phenylethyl)piperidine--hydrogen chloride (1/2)

Base Information

• Chemical Name: 1-(1-Phenylethyl)piperidine--hydrogen chloride (1/2)
• CAS No.: 13127-28-1
• Molecular Formula: C13H20N^.Cl
• Molecular Weight: 225.762
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID40703341
• Mol file: 13127-28-1.mol

Synonyms:DTXSID40703341;1-(1-Phenylethyl)piperidine--hydrogen chloride (1/2)

Chemical Property of 1-(1-Phenylethyl)piperidine--hydrogen chloride (1/2)

Chemical Property:

• PSA: 0.00000
• LogP: -0.22010
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 261.1051051
• Heavy Atom Count: 16
• Complexity: 155

Purity/Quality:

98%Min ^*data from raw suppliers

N-Benzyl-N-methylpiperidiniumchloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C1=CC=CC=C1)N2CCCCC2.Cl.Cl

Technology Process of 1-(1-Phenylethyl)piperidine--hydrogen chloride (1/2)

There total 2 articles about 1-(1-Phenylethyl)piperidine--hydrogen chloride (1/2) 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: 13.0%

N-methylcyclohexylamine (626-67-5) + benzyl chloride (100-44-7) → 1-benzyl-1-methylpiperidinium chloride (13127-28-1)

Guidance literature:

In diethyl ether; Ambient temperature;

DOI:10.1016/S0040-4020(01)85267-4

Reference yield:

→ 1-benzyl-1-methylpiperidinium chloride (13127-28-1)

Guidance literature:

Reference yield: 30.0%

1-benzyl-1-methylpiperidinium chloride (13127-28-1) → Benzyl phenyl sulfide (831-91-4) + diphenyldisulfane (882-33-7)

Guidance literature:

In acetonitrile; at 80 ℃; for 22h; Yields of byproduct given;

DOI:10.1039/a706823i

upstream raw materials:

N-methylcyclohexylamine

benzyl chloride

Downstream raw materials:

Benzyl phenyl sulfide

diphenyldisulfane

Refernces

• 1、 Wang, Xin,Miao, Dazhuang,Li, Xiaotong,Hu, Renhe,Yang, Zhao,Gu, Ren,Han, Shiqing. "Elemental sulfur mediated cyclization via redox strategy: Synthesis of benzothiazoles from o-chloronitrobenzenes and benzyl chlorides". . p. 5194 - 5199. Retrieved 2017/07/28.