Fenethylline

Base Information

• Chemical Name: Fenethylline
• CAS No.: 3736-08-1
• Molecular Formula: C18H23N5O2
• Molecular Weight: 341.413
• Hs Code.: 2933990090
• European Community (EC) Number: 609-418-3
• UNII: YZ0N7VL5R3,CP55WHR66R,76284FBU6H
• DSSTox Substance ID: DTXSID50859686
• Nikkaji Number: J8.234A
• Wikipedia: Fenethylline
• Wikidata: Q27887794
• NCI Thesaurus Code: C81051
• Metabolomics Workbench ID: 146137
• ChEMBL ID: CHEMBL2111152
• Mol file: 3736-08-1.mol

Synonyms:7-ethyltheophyllineamphetamine;Biocapton;Captagon;fenethylline;fenethylline monohydrochloride;fenetylline

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

Chemical Property of Fenethylline

Chemical Property:

• Vapor Pressure: 9.8E-13mmHg at 25°C
• Refractive Index: 1.635
• Boiling Point: 563.8 °C at 760 mmHg
• PKA: 9.39±0.28(Predicted)
• Flash Point: 294.8 °C
• PSA: 73.85000
• Density: 1.26 g/cm³
• LogP: 1.04540
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 341.18517499
• Heavy Atom Count: 25
• Complexity: 494

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC1=CC=CC=C1)NCCN2C=NC3=C2C(=O)N(C(=O)N3C)C
• Therapeutic Function: Central stimulant

Technology Process of Fenethylline

There total 3 articles about Fenethylline 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:

5-(1,3-Dimethylureido)-3-<2-(1-methyl-2-phenylethylamino)-ethyl>-3H-imidazol-4-carbonsaeuremethylester (112570-48-6) → fenethylline (3736-08-1)

Guidance literature:

In dichloromethane; for 1.5h; Heating;

DOI:10.1002/ardp.198700045

Reference yield:

5-(1,3-Dimethylureido)-3-<2-(1-methyl-2-phenylethylamino)-ethyl>-ethyl-3H-imidazol-4-carbonsaeure (112570-47-5) → fenethylline (3736-08-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 17 percent / diethyl ether; methanol; H₂O / 0 °C

2: CH₂Cl₂ / 1.5 h / Heating

In methanol; diethyl ether; dichloromethane; water;

DOI:10.1002/ardp.198700045

Reference yield:

→ fenethylline (3736-08-1)

Guidance literature:

7-(2-Chlor-aethyl)-theophyllin, 2-Amino-1-phenyl-propan;

upstream raw materials:

5-(1,3-Dimethylureido)-3-<2-(1-methyl-2-phenylethylamino)-ethyl>-3H-imidazol-4-carbonsaeuremethylester

5-(1,3-Dimethylureido)-3-<2-(1-methyl-2-phenylethylamino)-ethyl>-ethyl-3H-imidazol-4-carbonsaeure

Downstream raw materials:

5-(1,3-Dimethylureido)-3-<2-(1-methyl-2-phenylethylamino)-ethyl>-ethyl-3H-imidazol-4-carbonsaeure

Refernces