98677-79-3

Basic information

• Product Name: acephenanthrylen-4(5H)-one
• CAS NO: 98677-79-3
• Molecular Formula: C₁₆H₁₀O
• Molecular Weight: 218.25
• Mol File: 98677-79-3.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 439.7°C at 760 mmHg
• Flash Point: 198.8°C
• Density: 1.318g/cm³
• Vapor Pressure: 6.25E-08mmHg at 25°C
• Refractive Index: 1.782
• CAS DataBase Reference: acephenanthrylen-4(5H)-one(CAS DataBase Reference)
• NIST Chemistry Reference: acephenanthrylen-4(5H)-one(98677-79-3)
• EPA Substance Registry System: acephenanthrylen-4(5H)-one(98677-79-3)

Safety Data

• Hazardous Substances Data: 98677-79-3(Hazardous Substances Data)

Upstream product

• 25177-46-2 9-phenanthrylacetic acid 
• 24471-57-6 9-bromomethylphenantrene 
• 50781-52-7 9-(cyanomethyl)phenanthrene 
• 883-20-5 9-methylphenanthrene 
• 98677-87-3 9-phenanthreneacetic acid chloride 
• 50-00-0 formaldehyd 
• 85-01-8 phenanthrene 
• 143-33-9 sodium cyanide 

Downstream Products

• 98677-81-7 4-(2-propenyl)acephenanthrylene 
• 98677-75-9 4-(1-propenyl)acephenanthrylene 
• 98677-88-4 4-hydroxy-4-(2-propenyl)-4,5-dihydroacephenanthrylene 
• 98677-80-6 4-hydroxy-4,5-dihydroacephenanthrylene 
• 98677-89-5 4-hydroxy-4-(1-propenyl)-4,5-dihydroacephenanthrylene 

Relevant articles and documents

Synthesis and spectroscopy of nine isomeric methylacephenanthrylenes

The synthesis of nine isomeric methyl-substituted acephenanthrylenes is described.Three different approaches were used. 1-, 2-, And 6-methylacephenanthrylene (1a, 1c and 1f) were prepared by formylation of acephenanthrene (2) and 4,5,7,8,9,10-hexahydroacephenanthrylene (17), followed by Wolff-Kishner reduction and dehydrogenation. 4-, 5-, 7- And 10-methylacephenanthrylene (1d, 1e, 1g and 1j) were synthesized by treating the corresponding acephenanthrenones with methyllithium, followed by dehydration and, in the case of 1g and 1j, dehydrogenation. 8- And 9-methylacephenanthrylene (1h and 1i) were prepared by a Haworth synthesis starting with the reaction of methylsuccinic anhydride with acenaphthene. the spectroscopic properties of acephenanthrylene and its methyl derivatives were investigated with mass spectrometry, (1)H NMR and UV-VIS spectroscopy.According to the (1)H NMR spectra, steric hindrance between the methyl group and nearby protons decreases in the following order: 1, 10 > 6 > 7 > 3 > 4, 5, 8, 9.