1-(2-Phenylethyl)-4-phenyl-4-acetoxypiperidine

Base Information

• Chemical Name: 1-(2-Phenylethyl)-4-phenyl-4-acetoxypiperidine
• CAS No.: 64-52-8
• Molecular Formula: C21H25 N O2
• Molecular Weight: 323.435
• UNII: T6LN72I828
• DSSTox Substance ID: DTXSID5048922
• Nikkaji Number: J280.515D
• Wikipedia: PEPAP
• Wikidata: Q7118988
• Metabolomics Workbench ID: 146210
• ChEMBL ID: CHEMBL2361014
• Mol file: 64-52-8.mol

Synonyms:PEPAP;1-(2-Phenylethyl)-4-phenyl-4-acetoxypiperidine;64-52-8;MCV 4527;NIH 10460;1-(2-Phenethyl)-4-phenyl-4-acetoxypiperidine;DEA No. 9663;1-Phenethyl-4-phenyl-4-piperidinol acetate (ester);4-Piperidinol, 1-phenethyl-4-phenyl-, acetate (ester);BRN 0292398;UNII-T6LN72I828;DTXSID5048922;4-Piperidinol, 4-phenyl-1-(2-phenylethyl)-, acetate (ester);T6LN72I828;NCGC00247684-01;SCHEMBL614396;Phenethylphenylacetoxypiperidine;IDS-NP-026;CHEMBL2361014;DTXCID8028848;IDS-NP-026(SECT.3);Tox21_112833;AKOS025296137;DB01562;CAS-64-52-8;LS-117171;Q7118988;[4-phenyl-1-(2-phenylethyl)piperidin-4-yl] acetate;1-(-2-PHENETHYL)-4-PHENYL-4-ACETOXYPIPERIDINE;4-Piperidinol, 1-phenethyl-4-phenyl-, acetate (7CI);1-PHENETHYL-4-PHENYL-4-PIPERIDINOL ACETATE(ESTER);4-Piperidinol, 1-phenethyl-4-phenyl-, acetate (ester) (8CI);4-Piperidinol, 4-phenyl-1-(2-phenylethyl)-, acetate (ester) (9CI)

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Chemical Property of 1-(2-Phenylethyl)-4-phenyl-4-acetoxypiperidine

Chemical Property:

• Boiling Point: 431.8±45.0 °C(Predicted)
• PKA: 8.24±0.10(Predicted)
• PSA: 29.54000
• Density: 1.12±0.1 g/cm3(Predicted)
• LogP: 3.72140
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 323.188529040
• Heavy Atom Count: 24
• Complexity: 389

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1(CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3

Technology Process of 1-(2-Phenylethyl)-4-phenyl-4-acetoxypiperidine

There total 8 articles about 1-(2-Phenylethyl)-4-phenyl-4-acetoxypiperidine 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:

1-phenethyl-4-phenyl-piperidin-4-ol (94913-96-9) + acetic anhydride (108-24-7) → acetic acid-(1-phenethyl-4-phenyl-[4]piperidyl ester) (64-52-8)

Guidance literature:

With pyridine;

Reference yield:

dimethyl β,β'-(2-phenylethylamino)dipropionate (38129-46-3) → acetic acid-(1-phenethyl-4-phenyl-[4]piperidyl ester) (64-52-8)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium hydride; benzene / Erwaermen des Reaktionsprodukts mit wss. Salzsaeure

2: diethyl ether

3: pyridine

With pyridine; diethyl ether; sodium hydride; benzene;

Reference yield:

3,3'-phenethylimino-di-propionic acid diethyl ester (57958-47-1) → acetic acid-(1-phenethyl-4-phenyl-[4]piperidyl ester) (64-52-8)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium; xylene / Erwaermen des Reaktionsprodukts mit wss. Salzsaeure

2: diethyl ether

3: pyridine

With pyridine; diethyl ether; sodium; xylene;

upstream raw materials:

1-(2-phenylethyl)-4-piperidinone

phenyllithium

1-phenethyl-4-phenyl-piperidin-4-ol

acetic anhydride