beta-Hydroxyfentanyl

Base Information

• Chemical Name: beta-Hydroxyfentanyl
• CAS No.: 78995-10-5
• Molecular Formula: C22H28N2O2
• Molecular Weight: 352.47
• UNII: 6Q4XAW26T4
• DSSTox Substance ID: DTXSID40859650
• Nikkaji Number: J472.959E
• Wikipedia: Betahydroxyfentanyl
• Wikidata: Q4085938
• Metabolomics Workbench ID: 146109
• ChEMBL ID: CHEMBL3302622
• Mol file: 78995-10-5.mol

Synonyms:beta-hydroxyfentanyl

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

Chemical Property of beta-Hydroxyfentanyl

Chemical Property:

• Vapor Pressure: 2.7E-11mmHg at 25°C
• Melting Point: 125-127oC
• Boiling Point: 511.7°C at 760 mmHg
• PKA: 14.19±0.20(Predicted)
• Flash Point: 263.3°C
• PSA: 43.78000
• Density: 1.145g/cm³
• LogP: 3.56550
• Storage Temp.: Controlled Substance, -20?C Freezer
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 352.215078140
• 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)CC(C2=CC=CC=C2)O)C3=CC=CC=C3
• Uses: Labelled Fentanyl metabolite.

Technology Process of beta-Hydroxyfentanyl

There total 6 articles about beta-Hydroxyfentanyl 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:

N-phenyl-N-(4-piperidinyl)propanamide hydrochloride + 1-chloroacetophenone (532-27-4,108321-66-0,164322-25-2) → N-<1-(2-Hydroxy-2-phenylethyl)-4-piperidyl>-N-phenylpropanamide (78995-10-5)

Guidance literature:

With sodium hydrogencarbonate; In water; butanone; at 90 ℃; for 6h;

DOI:10.1248/bpb.b17-00709

Reference yield:

1-phenylmethyl-4-piperidone (3612-20-2) → N-<1-(2-Hydroxy-2-phenylethyl)-4-piperidyl>-N-phenylpropanamide (78995-10-5)

Guidance literature:

Multi-step reaction with 4 steps

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

2: toluene / 3 h / Heating

3: 95 percent / H₂, conc. HCl / 10 percent Pd/C / ethanol / 50 °C / 2068.6 Torr

4: 7 h / 100 °C

With hydrogenchloride; sodium tetrahydroborate; hydrogen; toluene-4-sulfonic acid; palladium on activated charcoal; In ethanol; toluene;

DOI:10.1002/jhet.5570260329

Reference yield:

N-(1-benzyl-4-piperidinyl)-N-phenylpropionamide (1474-02-8) → N-<1-(2-Hydroxy-2-phenylethyl)-4-piperidyl>-N-phenylpropanamide (78995-10-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 95 percent / H₂, conc. HCl / 10 percent Pd/C / ethanol / 50 °C / 2068.6 Torr

2: 7 h / 100 °C

With hydrogenchloride; hydrogen; palladium on activated charcoal; In ethanol;

DOI:10.1002/jhet.5570260329

upstream raw materials:

1-phenylmethyl-4-piperidone

1-benzyl-N-phenylpiperidin-4-amine

N-(1-benzyl-4-piperidinyl)-N-phenylpropionamide

aniline