Ocfentanil

Base Information

• Chemical Name: Ocfentanil
• CAS No.: 101343-69-5
• Molecular Formula: C₂₂H₂₇FN₂O₂
• Molecular Weight: 370.467
• UNII: MX52WBC8EV
• DSSTox Substance ID: DTXSID00869356
• Nikkaji Number: J397.584C
• Wikipedia: Ocfentanil
• Wikidata: Q7076285
• NCI Thesaurus Code: C84024
• ChEMBL ID: CHEMBL2110917
• Mol file: 101343-69-5.mol

Synonyms:1-(2-phenylethyl)-4-(N-(2-fluorophenyl)methoxyacetamido)piperidine;A 3217;A-3217;ocfentanil

 This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.

Chemical Property of Ocfentanil

Chemical Property:

• Vapor Pressure: 7.52E-10mmHg at 25°C
• Boiling Point: 492.7°Cat760mmHg
• PKA: 8.81±0.20(Predicted)
• Flash Point: 251.8°C
• PSA: 32.78000
• Density: 1.157g/cm³
• LogP: 3.45010
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 370.20565627
• Heavy Atom Count: 27
• Complexity: 448

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3F
• Uses: Analgesic (narcotic).

Technology Process of Ocfentanil

There total 4 articles about Ocfentanil 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) → 2-fluoromethoxyacetylfentanyl (101343-69-5)

Guidance literature:

Multi-step reaction with 3 steps

1: Molecular sieve

2: sodium tetrahydroborate

3: sodium tetrahydroborate

With sodium tetrahydroborate;

DOI:10.1248/bpb.b20-00780

Reference yield:

2-Fluoroaniline (348-54-9) → 2-fluoromethoxyacetylfentanyl (101343-69-5)

Guidance literature:

Multi-step reaction with 3 steps

1: Molecular sieve

2: sodium tetrahydroborate

3: sodium tetrahydroborate

With sodium tetrahydroborate;

DOI:10.1248/bpb.b20-00780

Reference yield:

C19H21FN2 → 2-fluoromethoxyacetylfentanyl (101343-69-5)

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

2-Fluoroaniline

Methoxyacetyl chloride

C₁₉H₂₃FN₂