Ethyl 1-(3-oxo-3-phenylpropyl)-4-phenylpiperidine-4-carboxylate

Base Information

• Chemical Name: Ethyl 1-(3-oxo-3-phenylpropyl)-4-phenylpiperidine-4-carboxylate
• CAS No.: 4310-87-6
• Molecular Formula: C23H27 N O3
• Molecular Weight: 365.472
• Hs Code.: 2933399090
• European Community (EC) Number: 224-324-9
• DSSTox Substance ID: DTXSID70195694
• Nikkaji Number: J205.699B
• Wikidata: Q83068729
• Mol file: 4310-87-6.mol

Synonyms:4310-87-6;Ethyl 1-(3-oxo-3-phenylpropyl)-4-phenylpiperidine-4-carboxylate;EINECS 224-324-9;DTXSID70195694;Isonipecotic acid, 1-(2-benzoylethyl)-4-phenyl-, ethyl ester;1-(3-Oxo-3-phenylpropyl)-4-phenyl-4-piperidinecarboxylic acid ethyl ester;4-Piperidinecarboxylic acid, 1-(3-oxo-3-phenylpropyl)-4-phenyl-, ethyl ester

Chemical Property of Ethyl 1-(3-oxo-3-phenylpropyl)-4-phenylpiperidine-4-carboxylate

Chemical Property:

• Vapor Pressure: 3.35E-10mmHg at 25°C
• Boiling Point: 501.9°Cat760mmHg
• Flash Point: 257.3°C
• PSA: 46.61000
• Density: 1.115g/cm³
• LogP: 3.79420
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 365.19909372
• Heavy Atom Count: 27
• Complexity: 484

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1(CCN(CC1)CCC(=O)C2=CC=CC=C2)C3=CC=CC=C3

Technology Process of Ethyl 1-(3-oxo-3-phenylpropyl)-4-phenylpiperidine-4-carboxylate

There total 4 articles about Ethyl 1-(3-oxo-3-phenylpropyl)-4-phenylpiperidine-4-carboxylate 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:

3-chloropropiophenone (936-59-4) + Normeperidine (77-17-8) → 1-(3-oxo-3-phenyl-propyl)-4-phenyl-piperidine-4-carboxylic acid ethyl ester (4310-87-6)

Guidance literature:

With potassium iodide; xylene; at 140 - 145 ℃;

Reference yield:

ethyl 4-phenyl-4-piperidinecarboxylate hydrochloride (24465-45-0) + Phenyl vinyl ketone (768-03-6,26742-84-7) → 1-(3-oxo-3-phenyl-propyl)-4-phenyl-piperidine-4-carboxylic acid ethyl ester (4310-87-6)

Guidance literature:

With hydrogenchloride; isopropyl alcohol;

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + ethyl 4-phenyl-4-piperidinecarboxylate hydrochloride (24465-45-0) + acetophenone (98-86-2) → 1-(3-oxo-3-phenyl-propyl)-4-phenyl-piperidine-4-carboxylic acid ethyl ester (4310-87-6)

Guidance literature:

With hydrogenchloride; isopropyl alcohol;

upstream raw materials:

3-chloropropiophenone

Normeperidine

formaldehyd

ethyl 4-phenyl-4-piperidinecarboxylate hydrochloride

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