1-Phenethyl-4-phenyl-4-piperidinol propionate

Base Information

• Chemical Name: 1-Phenethyl-4-phenyl-4-piperidinol propionate
• CAS No.: 64-50-6
• Molecular Formula: C22H27 N O2
• Molecular Weight: 337.462
• UNII: 3V5LBG63PD
• DSSTox Substance ID: DTXSID20981903
• Nikkaji Number: J83.623K
• Wikidata: Q82968423
• Mol file: 64-50-6.mol

Synonyms:3V5LBG63PD;1-Phenethyl-4-phenyl-4-propionoxypiperidine;64-50-6;L 3190;4-phenyl-1-(2-phenylethyl)piperidin-4-yl propanoate;BRN 0312397;UNII-3V5LBG63PD;1-Phenethyl-4-phenyl-4-piperidinol propionate;Phenethyl-1 phenyl-4 propionoxy-4 piperidine [French];4-Piperidinol, 1-phenethyl-4-phenyl-, propionate (ester);DTXSID20981903;Phenethyl-1 phenyl-4 propionoxy-4 piperidine;4-21-00-00654 (Beilstein Handbook Reference);(1-PHENETHYL-4-PHENYL-4-PIPERIDYL) PROPANOATE;PROPIONIC ACID, 1-PHENETHYL-4-PHENYL-4-PIPERIDYL ESTER;4-PIPERIDINOL, 4-PHENYL-1-(2-PHENYLETHYL)-, 4-PROPANOATE

Chemical Property of 1-Phenethyl-4-phenyl-4-piperidinol propionate

Chemical Property:

• Vapor Pressure: 4.14E-08mmHg at 25°C
• Boiling Point: 444.9°Cat760mmHg
• PKA: 7.80±0.10(Predicted)
• Flash Point: 135.9°C
• PSA: 29.54000
• Density: 1.1g/cm³
• LogP: 4.11150
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 337.204179104
• Heavy Atom Count: 25
• Complexity: 402

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 1-Phenethyl-4-phenyl-4-piperidinol propionate

There total 8 articles about 1-Phenethyl-4-phenyl-4-piperidinol propionate 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) + propionic acid anhydride (123-62-6) → propionic acid-(1-phenethyl-4-phenyl-[4]piperidyl ester) (64-50-6)

Guidance literature:

With pyridine;

Reference yield:

3,3'-phenethylimino-di-propionic acid diethyl ester (57958-47-1) → propionic acid-(1-phenethyl-4-phenyl-[4]piperidyl ester) (64-50-6)

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;

Reference yield:

dimethyl β,β'-(2-phenylethylamino)dipropionate (38129-46-3) → propionic acid-(1-phenethyl-4-phenyl-[4]piperidyl ester) (64-50-6)

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;

upstream raw materials:

1-(2-phenylethyl)-4-piperidinone

phenyllithium

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

propionic acid anhydride