4-Phenylfentanyl

Base Information

• Chemical Name: 4-Phenylfentanyl
• CAS No.: 120448-97-7
• Molecular Formula: C₂₈H₃₂N₂O
• Molecular Weight: 412.575
• UNII: L9P31JAO37
• DSSTox Substance ID: DTXSID001018402
• Nikkaji Number: J257.682A
• Wikipedia: 4-Phenylfentanyl
• Wikidata: Q4637190
• Metabolomics Workbench ID: 152204
• ChEMBL ID: CHEMBL312948

Synonyms:4-Phenylfentanyl;L9P31JAO37;N-(1-phenethyl-4-phenyl-4-piperidyl)-N-phenyl-propanamide;UNII-L9P31JAO37;120448-97-7;Propanamide, N-phenyl-N-(4-phenyl-1-(2-phenylethyl)-4-piperidinyl)-;CHEMBL312948;SCHEMBL6963035;DTXSID001018402;DB09168;PD009132;Q4637190;N-(1-Phenethyl-4-phenyl-4-piperidinyl)-N-phenylpropanamide

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Chemical Property of 4-Phenylfentanyl

Chemical Property:

• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 412.251463648
• Heavy Atom Count: 31
• Complexity: 535

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CC=C3)C4=CC=CC=C4

Technology Process of 4-Phenylfentanyl

There total 6 articles about 4-Phenylfentanyl 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-phenylmethyl-4-piperidone (3612-20-2) → N-(1-Phenethyl-4-phenyl-piperidin-4-yl)-N-phenyl-propionamide (120448-97-7)

Guidance literature:

Multi-step reaction with 5 steps

1: p-toluenesulfonic acid / toluene / 18 h / Heating

2: cyclohexane; diethyl ether; toluene / 1) 0 deg C, 0.5 h, 2) r.t., 1.5 h

3: CHCl₃ / 360 h / Heating

4: 1) 1-chloroethyl chloroformate, 2) MeOH / 1) 1,2-dichloroethane, a) 0 deg C, 15 min, b) reflux, 2 h, 2) reflux, 4 h

5: K₂CO₃ / acetonitrile / 48 h / Heating

With methanol; carbonochloridic acid 1-chloro-ethyl ester; potassium carbonate; toluene-4-sulfonic acid; In diethyl ether; chloroform; cyclohexane; toluene; acetonitrile;

DOI:10.1021/jm00132a007

Reference yield:

N-(1-benzylpiperidin-4-ylidene)aniline (1155-57-3) → N-(1-Phenethyl-4-phenyl-piperidin-4-yl)-N-phenyl-propionamide (120448-97-7)

Guidance literature:

Multi-step reaction with 4 steps

1: cyclohexane; diethyl ether; toluene / 1) 0 deg C, 0.5 h, 2) r.t., 1.5 h

2: CHCl₃ / 360 h / Heating

3: 1) 1-chloroethyl chloroformate, 2) MeOH / 1) 1,2-dichloroethane, a) 0 deg C, 15 min, b) reflux, 2 h, 2) reflux, 4 h

4: K₂CO₃ / acetonitrile / 48 h / Heating

With methanol; carbonochloridic acid 1-chloro-ethyl ester; potassium carbonate; In diethyl ether; chloroform; cyclohexane; toluene; acetonitrile;

DOI:10.1021/jm00132a007

Reference yield:

aniline (62-53-3) → N-(1-Phenethyl-4-phenyl-piperidin-4-yl)-N-phenyl-propionamide (120448-97-7)

Guidance literature:

Multi-step reaction with 5 steps

1: p-toluenesulfonic acid / toluene / 18 h / Heating

2: cyclohexane; diethyl ether; toluene / 1) 0 deg C, 0.5 h, 2) r.t., 1.5 h

3: CHCl₃ / 360 h / Heating

4: 1) 1-chloroethyl chloroformate, 2) MeOH / 1) 1,2-dichloroethane, a) 0 deg C, 15 min, b) reflux, 2 h, 2) reflux, 4 h

5: K₂CO₃ / acetonitrile / 48 h / Heating

With methanol; carbonochloridic acid 1-chloro-ethyl ester; potassium carbonate; toluene-4-sulfonic acid; In diethyl ether; chloroform; cyclohexane; toluene; acetonitrile;

DOI:10.1021/jm00132a007

upstream raw materials:

1-phenyl-2-bromoethane

N-Phenyl-N-(4-phenyl-piperidin-4-yl)-propionamide

1-phenylmethyl-4-piperidone

N-(1-benzylpiperidin-4-ylidene)aniline