Acetamide, N-phenyl-N-(1-(2-phenylethyl)-4-piperidinyl)-, monohydrochloride

Base Information

• Chemical Name: Acetamide, N-phenyl-N-(1-(2-phenylethyl)-4-piperidinyl)-, monohydrochloride
• CAS No.: 117332-89-5
• Molecular Formula: C₂₁H₂₆N₂O*ClH
• Molecular Weight: 0
• UNII: G4ZVOWIHLI
• DSSTox Substance ID: DTXSID301036752
• Mol file: 117332-89-5.mol

Synonyms:G4ZVOWIHLI;117332-89-5;UNII-G4ZVOWIHLI;Acetamide, N-phenyl-N-(1-(2-phenylethyl)-4-piperidinyl)-, monohydrochloride;Fentanyl monohydrochloride;MCV 4848;NIH 10485;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide;hydrochloride;Acetyl fentanyl hydrochloride;MLS002320757;SUEJSVVIYIQEPP-UHFFFAOYSA-N;ACETYLFENTANYL HYDROCHLORIDE;DTXSID301036752;MCV-4848;NIH-10485;AKOS027322224;SMR001338903;N-[1-(2-Phenylethyl)-4-piperidyl]-N-phenylacetamide hydrochloride;ACETAMIDE, N-PHENYL-N-(1-(2-PHENYLETHYL)-4-PIPERIDINYL)-, HYDROCHLORIDE (1:1)

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Chemical Property of Acetamide, N-phenyl-N-(1-(2-phenylethyl)-4-piperidinyl)-, monohydrochloride

Chemical Property:

• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 358.1811912
• Heavy Atom Count: 25
• Complexity: 377

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3.Cl

Technology Process of Acetamide, N-phenyl-N-(1-(2-phenylethyl)-4-piperidinyl)-, monohydrochloride

There total 5 articles about Acetamide, N-phenyl-N-(1-(2-phenylethyl)-4-piperidinyl)-, monohydrochloride 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: 96.0%

N-<1-(2-Phenylethyl)-4-piperidyl>-N-phenylacetamide (3258-84-2) → N-<1-(2-Phenylethyl)-4-piperidyl>-N-phenylacetamide Hydrochloride (117332-89-5)

Guidance literature:

With hydrogenchloride; In diethyl ether; water; at 20 ℃; for 2h;

DOI:10.1371/journal.pone.0108250

Reference yield:

4-piperidone hydrochloride (41979-39-9) → N-<1-(2-Phenylethyl)-4-piperidyl>-N-phenylacetamide Hydrochloride (117332-89-5)

Guidance literature:

Multi-step reaction with 4 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

4: hydrogenchloride / diethyl ether; water / 2 h / 20 °C

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

DOI:10.1371/journal.pone.0108250

Reference yield:

1-(2-phenylethyl)-4-piperidinone (39742-60-4) → N-<1-(2-Phenylethyl)-4-piperidyl>-N-phenylacetamide Hydrochloride (117332-89-5)

Guidance literature:

Multi-step reaction with 3 steps

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

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

3: hydrogenchloride / diethyl ether; water / 2 h / 20 °C

With hydrogenchloride; sodium tris(acetoxy)borohydride; acetic acid; N-ethyl-N,N-diisopropylamine; In diethyl ether; dichloromethane; water;

DOI:10.1371/journal.pone.0108250

upstream raw materials:

4-piperidone hydrochloride

1-phenyl-2-bromoethane

1-(2-phenylethyl)-4-piperidinone

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

Downstream raw materials:

N-phenyl-N-(piperidin-4-yl)acetamide hydrochloride

Refernces