1-Phenethylpiperidine

Base Information

• Chemical Name: 1-Phenethylpiperidine
• CAS No.: 332-14-9
• Molecular Formula: C13H19 N
• Molecular Weight: 189.301
• Hs Code.: 2933399090
• European Community (EC) Number: 206-362-8
• UNII: 5TY7C52M7F
• DSSTox Substance ID: DTXSID5059822
• Nikkaji Number: J53.864G
• Wikipedia: AC927
• Wikidata: Q4650478
• Pharos Ligand ID: AZ35KHHLTH72
• ChEMBL ID: CHEMBL75228
• Mol file: 332-14-9.mol

Synonyms:AC 927;AC-927;AC927 cpd;N-phenethylpiperidine;N-phenethylpiperidine oxalate

Chemical Property of 1-Phenethylpiperidine

Chemical Property:

• Vapor Pressure: 0.00604mmHg at 25°C
• Melting Point: 190-192 °C(Solv: ethanol (64-17-5))
• Refractive Index: 1.5490 (estimate)
• Boiling Point: 272.6°Cat760mmHg
• PKA: 9.29±0.10(Predicted)
• Flash Point: 108.5°C
• PSA: 3.24000
• Density: 0.966g/cm³
• LogP: 2.65290
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 189.151749610
• Heavy Atom Count: 14
• Complexity: 143

Purity/Quality:

98%min ^*data from raw suppliers

1-PHENETHYLPIPERIDINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)CCC2=CC=CC=C2

Technology Process of 1-Phenethylpiperidine

There total 50 articles about 1-Phenethylpiperidine 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: 93.0%

N-(phenylthioacetyl)piperidine (24815-46-1) → 1-phenethylpiperidine (332-14-9)

Guidance literature:

With bromopentacarbonylmanganese(I); hydrogen; triethylamine; copper(I) bromide; at 100 ℃; for 1h; under 22502.3 Torr; Autoclave;

Reference yield: 91.0%

piperidine (110-89-4) + styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) → 1-phenethylpiperidine (332-14-9)

Guidance literature:

With trifluorormethanesulfonic acid; 1,5-bis-(diphenylphosphino)pentane; [bis(2-methylallyl)cycloocta-1,5-diene]ruthenium(II); In 1,4-dioxane; at 100 ℃; for 24h;

DOI:10.1021/ja031542u

Reference yield: 90.0%

piperidine (110-89-4) + formaldehyd (50-00-0,30525-89-4,61233-19-0) + benzyl bromide (100-39-0) → 1-phenethylpiperidine (332-14-9)

Guidance literature:

piperidine; formaldehyd; benzyl bromide; With trifluoroacetic acid; zinc; In acetonitrile; for 1h; Inert atmosphere;

With ammonium chloride; In water; acetonitrile;

DOI:10.1021/jo901704s

upstream raw materials:

piperidine

2-phenethyl iodide

1-(2-phenylethynyl)piperidine

2-chloro-1-phenethyl-pyridinium

Downstream raw materials:

1-ethyl-1-phenethyl-piperidinium; iodide

1-methyl-1-phenethyl-piperidinium; iodide

1-(2-phenylethyl)piperidine N-oxide

1-(2-phenylethyl)piperidine hydrochloride

Refernces

• 1、 Wu, Rongpei,Gao, Ke. "B(C6F5)3-catalyzed tandem protonation/deuteration and reduction of: In situ -formed enamines". supporting information. p. 4032 - 4036. Retrieved 2021/05/19.
• 2、 Bole, Leonie J.,Davin, Laia,García-álvarez, Joaquín,Hernán-Gómez, Alberto,Hevia, Eva,Kennedy, Alan,Mulks, Florian F.. "Ambient Moisture Accelerates Hydroamination Reactions of Vinylarenes with Alkali-Metal Amides under Air". . p. 19021 - 19026. Retrieved 2020/09/01.