p-Fluorofentanyl

Base Information

• Chemical Name: p-Fluorofentanyl
• CAS No.: 90736-23-5
• Molecular Formula: C₂₂H₂₇FN₂O
• Molecular Weight: 354.468
• European Community (EC) Number: 867-478-8
• UNII: I45R05QM0Z
• DSSTox Substance ID: DTXSID0048929
• Nikkaji Number: J472.973K
• Wikipedia: Parafluorofentanyl
• Wikidata: Q7134533
• Metabolomics Workbench ID: 61440
• ChEMBL ID: CHEMBL2355317
• Mol file: 90736-23-5.mol

Synonyms:4-fluorofentanyl;p-fluorofentanyl

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Chemical Property of p-Fluorofentanyl

Chemical Property:

• Vapor Pressure: 2.4E-09mmHg at 25°C
• Melting Point: 103-105?C
• Refractive Index: 1.575
• Boiling Point: 479.2 °C at 760 mmHg
• Flash Point: 243.6 °C
• PSA: 23.55000
• Density: 1.13g/cm³
• LogP: 4.21370
• Storage Temp.: Controlled Substance, -20°C Freezer
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 354.21074165
• Heavy Atom Count: 26
• Complexity: 422

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=C(C=C3)F
• Uses: Fentanyl analog. An opioid receptor. Controlled Substance

Technology Process of p-Fluorofentanyl

There total 4 articles about p-Fluorofentanyl 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-(2-phenylethyl)-4-piperidinone (39742-60-4) → N-(4-Fluorophenyl)-N-<1-(2-phenylethyl)-4-piperidyl>propanamide (90736-23-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 1) p-toluenesulfonic acid monohydrate, 2) NaBH₄ / 1) toluene, 22 h, reflux, 2) ethanol, rt, 3 h

2: toluene / 3 h / Heating

With sodium tetrahydroborate; toluene-4-sulfonic acid; In toluene;

DOI:10.1002/jhet.5570260329

Reference yield:

4-fluoroaniline (371-40-4) → N-(4-Fluorophenyl)-N-<1-(2-phenylethyl)-4-piperidyl>propanamide (90736-23-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 1) p-toluenesulfonic acid monohydrate, 2) NaBH₄ / 1) toluene, 22 h, reflux, 2) ethanol, rt, 3 h

2: toluene / 3 h / Heating

With sodium tetrahydroborate; toluene-4-sulfonic acid; In toluene;

DOI:10.1002/jhet.5570260329

Reference yield:

(4-fluoro-phenyl)-(1-phenethyl-piperidin-4-ylidene)-amine → N-(4-Fluorophenyl)-N-<1-(2-phenylethyl)-4-piperidyl>propanamide (90736-23-5)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium tetrahydroborate

2: sodium tetrahydroborate

With sodium tetrahydroborate;

DOI:10.1248/bpb.b20-00780

upstream raw materials:

1-(2-phenylethyl)-4-piperidinone

4-fluoroaniline

propionyl chloride

N-[1-(2-phenylethyl)-4-piperidyl]-N-(4-fluorophenyl)amine

Refernces

• 1、 Brine,Boldt,Huang,Sawyer,Carroll. "Carbon-13 nuclear magnetic resonance spectra of fentanyl analogs". . p. 677 - 686. Retrieved 2007/10/02.