Acetylfentanyl

Base Information

• Chemical Name: Acetylfentanyl
• CAS No.: 3258-84-2
• Molecular Formula: C21H26N2O
• Molecular Weight: 322.45
• Hs Code.: 2933399090
• European Community (EC) Number: 642-159-4
• UNII: 6DZ28538KS
• DSSTox Substance ID: DTXSID80186275
• Nikkaji Number: J125.906G
• Wikipedia: Acetylfentanyl
• Wikidata: Q15408427
• Mol file: 3258-84-2.mol

Synonyms:acetyl fentanyl;acetylfentanyl;N-(1-phenethylpiperidin-4-yl)-N-phenylacetamide

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

Chemical Property of Acetylfentanyl

Chemical Property:

• Vapor Pressure: 2.01E-08mmHg at 25°C
• Melting Point: 93-95?C
• Refractive Index: 1.591
• Boiling Point: 453.8 °C at 760 mmHg
• PKA: 8.92±0.10(Predicted)
• Flash Point: 183.1 °C
• PSA: 23.55000
• Density: 1.1 g/cm³
• LogP: 3.68450
• Storage Temp.: Controlled Substance, -20?C Freezer
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 322.204513457
• Heavy Atom Count: 24
• Complexity: 377

Purity/Quality:

Safty Information:

• Pictogram(s): Xn,Xi,T,F
• Hazard Codes: Xn,Xi,T,F
• Statements: 22-36/37/38-39/23/24/25-23/24/25-11
• Safety Statements: 26-45-36/37-16-7

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3
• Uses: A Fentanyl analog. Controlled Substance

Technology Process of Acetylfentanyl

There total 9 articles about Acetylfentanyl 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: 98.0%

acetic anhydride (108-24-7) + (1-Phenethyl-piperidin-4-yl)-phenyl-amine (21409-26-7) → N-<1-(2-Phenylethyl)-4-piperidyl>-N-phenylacetamide (3258-84-2)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 0 - 20 ℃; for 2h;

DOI:10.1371/journal.pone.0108250

Reference yield:

1-(2-phenylethyl)-4-piperidinone (39742-60-4) → N-<1-(2-Phenylethyl)-4-piperidyl>-N-phenylacetamide (3258-84-2)

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: 10.04 g / toluene / 3 h / Heating

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

DOI:10.1002/jhet.5570260329

Reference yield:

4-piperidone hydrochloride (41979-39-9) → N-<1-(2-Phenylethyl)-4-piperidyl>-N-phenylacetamide (3258-84-2)

Guidance literature:

Multi-step reaction with 3 steps

1: caesium carbonate / acetonitrile / 5 h / 80 °C

2: acetic acid; sodium tris(acetoxy)borohydride / dichloromethane / 2 h / 20 °C / Cooling with ice

3: N-ethyl-N,N-diisopropylamine / dichloromethane / 2 h / 0 - 20 °C

With sodium tris(acetoxy)borohydride; caesium carbonate; acetic acid; N-ethyl-N,N-diisopropylamine; In dichloromethane; acetonitrile;

DOI:10.1371/journal.pone.0108250

upstream raw materials:

acetic anhydride

(1-Phenethyl-piperidin-4-yl)-phenyl-amine

1-(2-phenylethyl)-4-piperidinone

aniline

Downstream raw materials:

N-<1-(2-Phenylethyl)-4-piperidyl>-N-phenylacetamide Hydrochloride

Refernces

• 1、 Valdez, Carlos A.,Leif, Roald N.,Mayer, Brian P.. "An efficient, optimized synthesis of fentanyl and related analogs". . . Retrieved 2015/02/19.