13125-62-7

Basic information

• Product Name: N-ethyl-3-phenylpropan-1-amine
• Synonyms: ethyl(3-phenylpropyl)amine
• CAS NO: 13125-62-7
• Molecular Formula: C₁₁H₁₇N
• Molecular Weight: 163.2594
• Mol File: 13125-62-7.mol
• Article Data: 11

Chemical Properties

• Boiling Point: 246.5°C at 760 mmHg
• Flash Point: 105.8°C
• Density: 0.904g/cm³
• Vapor Pressure: 0.0271mmHg at 25°C
• Refractive Index: 1.502
• CAS DataBase Reference: N-ethyl-3-phenylpropan-1-amine(CAS DataBase Reference)
• NIST Chemistry Reference: N-ethyl-3-phenylpropan-1-amine(13125-62-7)
• EPA Substance Registry System: N-ethyl-3-phenylpropan-1-amine(13125-62-7)

Safety Data

• Hazardous Substances Data: 13125-62-7(Hazardous Substances Data)

Upstream product

• 75-04-7 ethylamine 
• 104-52-9 phenylpropyl chloride 
• 557-66-4 ethanamine hydrochloride 
• 104-55-2 3-phenyl-propenal 
• 81256-39-5 N-ethyl-3-phenylpropionamide 
• 27640-12-6 N,N-diethyl-benzenepropanamine 
• 6852-54-6 N-(benzylidene)ethylamine 
• 501-52-0 3-Phenylpropionic acid 
• 104-53-0 3-phenyl-propionaldehyde 
• 122-97-4 3-Phenyl-1-propanol 
• 637-59-2 1-Bromo-3-phenylpropane 
• 2038-57-5 3-Phenylpropan-1-amine 
• 75-07-0 acetaldehyde 
• 645-45-4 hydrocinnamic acid chloride 

Downstream Products

• 150-59-4 alverine 
• 1263429-53-3 N-ethyl-3-phenylpropyl-1-sulfamoyl azide 
• 1263429-67-9 C₁₁H₁₆N₂O₂S 
• 690211-89-3 ethyl 3-[Ethyl-(3-Phenylpropyl)Amino]Propionate 
• 802902-79-0 1-(N-ethyl-(3-phenyl)propylamino)octan-3-one 
• 128667-60-7 6-{3-[Ethyl-(3-phenyl-propyl)-amino]-2-hydroxy-propoxy}-1H-quinolin-2-one 

Relevant articles and documents

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The cubane paradigm in bioactive molecule discovery: Further scope, limitations and the cyclooctatetraene complement

The cubane phenyl ring bioisostere paradigm was further explored in an extensive study covering a wide range of pharmaceutical and agrochemical templates, which included antibiotics (cefaclor, penicillin G) and antihistamine (diphenhydramine), a smooth muscle relaxant (alverine), an anaesthetic (ketamine), an agrochemical instecticide (triflumuron), an antiparasitic (benznidazole) and an anticancer agent (tamibarotene). This investigation highlights the scope and limitations of incorporating cubane into bioactive molecule discovery, both in terms of synthetic compatibility and physical property matching. Cubane maintained bioisosterism in the case of the Chagas disease antiparasitic benznidazole, although it was less active in the case of the anticancer agent (tamibarotenne). Application of the cyclooctatetraene (COT) (bio)motif complement was found to optimize benznidazole relative to the benzene parent, and augmented anticancer activity relative to the cubane analogue in the case of tamibarotene. Like all bioisosteres, scaffolds and biomotifs, however, there are limitations (e.g. synthetic implementation), and these have been specifically highlighted herein using failed examples. A summary of all templates prepared to date by our group that were biologically evaluated strongly supports the concept that cubane is a valuable tool in bioactive molecule discovery and COT is a viable complement.

Preparation method of N-ethyl-3-phenylpropylamine

The invention relates to a preparation method of N-ethyl-3-phenylpropylamine, and belongs to a preparation method of a compound. The preparation method comprises the following steps: dropwise adding 3-hydrocinnamaldehyde into an alcohol solution of ethyla