Benzylfentanyl

Base Information

• Chemical Name: Benzylfentanyl
• CAS No.: 1474-02-8
• Molecular Formula: C21H26 N2 O
• Molecular Weight: 322.45
• Hs Code.: 2933399090
• European Community (EC) Number: 216-014-7
• NSC Number: 73402
• UNII: 9BV2D1A57H
• DSSTox Substance ID: DTXSID00163705
• Nikkaji Number: J206.678E
• Wikipedia: Benzylfentanyl
• Wikidata: Q15634056
• Metabolomics Workbench ID: 152217
• ChEMBL ID: CHEMBL172155
• Mol file: 1474-02-8.mol

Synonyms:benzylfentanyl;benzylfentanyl hydrochloride

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

Chemical Property of Benzylfentanyl

Chemical Property:

• Vapor Pressure: 3.36E-08mmHg at 25°C
• Melting Point: 74-76 °C
• Boiling Point: 502.2°Cat760mmHg
• PKA: 7.84±0.20(Predicted)
• Flash Point: 257.5°C
• PSA: 23.55000
• Density: 1.113g/cm³
• LogP: 4.03210
• 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):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)N(C1CCN(CC1)CC2=CC=CC=C2)C3=CC=CC=C3
• Uses: A Fentanyl analog. An opiate receptor. Controlled Substance

Technology Process of Benzylfentanyl

There total 13 articles about Benzylfentanyl 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: 91.0%

benzyl bromide (100-39-0) + Norfentanyl (1609-66-1) → N-(1-benzyl-4-piperidinyl)-N-phenylpropionamide (1474-02-8)

Guidance literature:

With potassium hydroxide; In ethanol; at 20 ℃; for 24h;

DOI:10.1002/anie.202115467

Reference yield: 90.0%

N-(1-Benzyl-4-piperidyl)-N-phenylpropanamide Hydrochloride (5156-58-1) → N-(1-benzyl-4-piperidinyl)-N-phenylpropionamide (1474-02-8)

Guidance literature:

With sodium hydroxide; In water;

DOI:10.1007/s00044-012-0390-6

Reference yield: 54.0%

propionyl chloride (79-03-8) + 1-benzyl-N-phenylpiperidin-4-amine (1155-56-2) → N-(1-benzyl-4-piperidinyl)-N-phenylpropionamide (1474-02-8)

Guidance literature:

With TEA; In benzene; for 24h;

DOI:10.1016/j.bmcl.2007.01.114

upstream raw materials:

1-benzyl-N-phenylpiperidin-4-amine

propionic acid anhydride

propionyl chloride

1-phenylmethyl-4-piperidone

Downstream raw materials:

N-Phenyl-N-<1-(2-thienyl)methyl-4-piperidyl>propanamide Hydrochloride

N-Phenyl-N-<1-<2-(2-thienyl)ethyl>-4-piperidyl>propanamide Hydrochloride

N-<1-(3-Phenylpropyl)-4-piperidyl>-N-phenylpropanamide

N-<1-<1-Methyl-2-(2-thienyl)ethyl>-4-piperidyl>-N-phenylpropanamide

Refernces

• 1、 Qin, Yajuan,Ni, Luofan,Shi, Jiawei,Zhu, Zhiying,Shi, Saijian,Lam, Ai-Leen,Magiera, Julia,Sekar, Sunderajhan,Kuo, Andy,Smith, Maree T.,Li, Tingyou. "Synthesis and Biological Evaluation of Fentanyl Analogues Modified at Phenyl Groups with Alkyls". . p. 201 - 208. Retrieved 2018/09/25.
• 2、 Kanamori, Tatsuyuki,Iwata, Yuko Togawa,Segawa, Hiroki,Yamamuro, Tadashi,Kuwayama, Kenji,Tsujikawa, Kenji,Inoue, Hiroyuki. "Metabolism of fentanyl and acetylfentanyl in human-induced pluripotent stem cell-derived hepatocytes". . p. 106 - 114. Retrieved 2018/01/11.