Etonitazene

Base Information

• Chemical Name: Etonitazene
• CAS No.: 911-65-9
• Molecular Formula: C22H28N4O3
• Molecular Weight: 396.489
• European Community (EC) Number: 213-009-1
• UNII: 9U3GT3353T
• DSSTox Substance ID: DTXSID6048919
• Nikkaji Number: J7.164A
• Wikipedia: Etonitazene
• Wikidata: Q5404835
• NCI Thesaurus Code: C65596
• Pharos Ligand ID: K1ZNS457BAWW
• Metabolomics Workbench ID: 146117
• ChEMBL ID: CHEMBL312040
• Mol file: 911-65-9.mol

Synonyms:etonitazene;etonitazin;etonitazine

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

Chemical Property of Etonitazene

Chemical Property:

• Vapor Pressure: 1.78E-13mmHg at 25°C
• Refractive Index: 1.591
• Boiling Point: 580.7 °C at 760 mmHg
• PKA: 9.90±0.25(Predicted)
• Flash Point: 305 °C
• PSA: 76.11000
• Density: 1.17g/cm³
• LogP: 4.79900
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 396.21614077
• Heavy Atom Count: 29
• Complexity: 503

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CC3=CC=C(C=C3)OCC
• Description: Etonitazene (Item No. 21824) is an analytical reference standard categorized as an opioid. Etonitazene is regulated as a Schedule I compound in the United States. This product is intended for research and forensic applications.

Technology Process of Etonitazene

There total 7 articles about Etonitazene 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: 62.7%

N-[2-{(2-(diethylamino)ethyl)amino}-5-nitrophenyl]-2-(4-ethoxyphenyl)acetamide (55154-71-7) → etonitazene (911-65-9)

Guidance literature:

N-[2-{(2-(diethylamino)ethyl)amino}-5-nitrophenyl]-2-(4-ethoxyphenyl)acetamide; With phosphorus pentachloride; In chloroform; for 4h; Heating / reflux;

With ammonia; In chloroform; water; at 20 ℃; pH=9 - 10;

Reference yield:

N(1)-(2-(diethylamino)ethyl)-4-nitrobenzene-1,2-diamine (5099-39-8) → etonitazene (911-65-9)

Guidance literature:

Multi-step reaction with 2 steps

1: N-ethoxycarbonyl-2-ethoxy-1,2-dihydroquinoline / dichloromethane / 18 h / 35 °C / Inert atmosphere

2: phosphorus trichloride / chloroform / 4 h / Reflux; Inert atmosphere

With N-ethoxycarbonyl-2-ethoxy-1,2-dihydroquinoline; phosphorus trichloride; In dichloromethane; chloroform;

DOI:10.1021/ml200268w

Reference yield:

N’-(2,4-dinitrophenyl)-N,N-diethylethane-1,2-diamine (56223-91-7) → etonitazene (911-65-9)

Guidance literature:

Multi-step reaction with 3 steps

1: ammonium sulfide / ethanol; water / 2.5 h / 65 - 70 °C / Inert atmosphere

2: N-ethoxycarbonyl-2-ethoxy-1,2-dihydroquinoline / dichloromethane / 18 h / 35 °C / Inert atmosphere

3: phosphorus trichloride / chloroform / 4 h / Reflux; Inert atmosphere

With ammonium sulfide; N-ethoxycarbonyl-2-ethoxy-1,2-dihydroquinoline; phosphorus trichloride; In ethanol; dichloromethane; chloroform; water; 1: Zinin reduction;

DOI:10.1021/ml200268w

upstream raw materials:

N⁽¹⁾-(2-(diethylamino)ethyl)-4-nitrobenzene-1,2-diamine

N-[2-{(2-(diethylamino)ethyl)amino}-5-nitrophenyl]-2-(4-ethoxyphenyl)acetamide

N’-(2,4-dinitrophenyl)-N,N-diethylethane-1,2-diamine

N,N-diethylethylenediamine

Downstream raw materials:

1-[2-(diethylamino)ethyl]-2-(4-ethoxybenzyl)-1H-benzo[d]imidazol-5-amine

2-(4-ethoxybenzyl)-1-(1-methylpiperidin-4-yl)-5-nitro-1H-benzo[d]imidazole

N-(1-(2-(diethylamino)ethyl)-2-(4-ethoxybenzyl)-1H-benzo[d]imidazol-5-yl)thiophen-2-carboximidamide

N-(2-(4-ethoxybenzyl)-1-(1-methylpiperidin-4-yl)-1H-benzo[d]imidazol-5-yl)thiophen-2-carboximidamide

Refernces

• 1、 Renton, Paul,Green, Brenda,Maddaford, Shawn,Rakhit, Suman,Andrews, John S.. "NOpiates: Novel dual action neuronal nitric oxide synthase inhibitors with μ-opioid agonist activity". supporting information; experimental part. p. 227 - 231. Retrieved 2012/05/04.