Ethcathinone

Base Information

• Chemical Name: Ethcathinone
• CAS No.: 18259-37-5
• Deprecated CAS: 774487-42-2,55166-02-4
• Molecular Formula: C11H17NO
• Molecular Weight: 177.246
• Hs Code.: 2922399090
• UNII: HV3BCK77BB
• DSSTox Substance ID: DTXSID70939595
• Nikkaji Number: J2.659.123F
• Wikipedia: Ethcathinone
• Wikidata: Q5403044
• ChEMBL ID: CHEMBL3298876
• Mol file: 18259-37-5.mol

Synonyms:2-ethylamino-1-phenyl-propan-1-one;ethcathinone;ethylpropion

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Chemical Property of Ethcathinone

Chemical Property:

• Vapor Pressure: 0.129mmHg at 25°C
• Boiling Point: 272.308 °C at 760 mmHg
• Flash Point: 105.034 °C
• PSA: 29.10000
• Density: 0.986 g/cm³
• LogP: 2.25820
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 177.115364102
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCNC(C)C(=O)C1=CC=CC=C1

Technology Process of Ethcathinone

There total 4 articles about Ethcathinone 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:

ethylamine (75-04-7,85404-22-4) + 2-bromo-1-phenyl-1-propanone (2114-00-3) → ethylamino-2-phenyl-1-propanone-1- (18259-37-5)

Guidance literature:

at 5 - 10 ℃;

Reference yield:

1-phenyl-propan-1-one (93-55-0) → ethylamino-2-phenyl-1-propanone-1- (18259-37-5)

Guidance literature:

Multi-step reaction with 2 steps

1: bromine / dichloromethane

2: dichloromethane / 12 h

With bromine; In dichloromethane;

DOI:10.3390/ijms20071524

Reference yield:

benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → ethylamino-2-phenyl-1-propanone-1- (18259-37-5)

Guidance literature:

Multi-step reaction with 3 steps

1: aluminum (III) chloride / dichloromethane

2: bromine / dichloromethane

3: dichloromethane / 12 h

With aluminum (III) chloride; bromine; In dichloromethane; 1: |Friedel-Crafts Acylation;

DOI:10.3390/ijms20071524

upstream raw materials:

ethylamine

2-bromo-1-phenyl-1-propanone

N-acetyl-N-ethyl-norephedrine

1-phenyl-propan-1-one

Downstream raw materials:

1-Methyl-1H-imidazole-4-sulfonic acid ethyl-(1-methyl-2-oxo-2-phenyl-ethyl)-amide

N-Ethyl-N-(1-methyl-2-oxo-2-phenyl-ethyl)-benzenesulfonamide

ethylamino-2-methylamino-1-phenyl-1-propane

ethylamino-2-methylamino-1-phenyl-1-propane

Refernces

• 1、 Tytgat, D.,Gelbcke, M.. "SPECTRES RMN-1H ET -13C DE PHENYL-1-PROPANEDIAMINES-1,2 DERIVES DE L'EPHEDRINE ET DE LEURS IMIDAZOLIDINES". . p. 243 - 256. Retrieved 2007/10/02.