5-ACETYL-1,2-DIHYDROACENAPHTHYLENE

The Ethanone,1-(1,2-dihydro-5-acenaphthylenyl)-, with the CAS registry number 10047-18-4, is also known as Ketone, 5-acenaphthenyl methyl. It belongs to the product category of Aromatic Phenols. This chemical's molecular formula is C₁₄H₁₂O and molecular weight is 196.24. What's more, both its IUPAC name and systematic name are the same which is called 1-(1,2-Dihydroacenaphthylen-5-yl)ethanone.

Physical properties about Ethanone,1-(1,2-dihydro-5-acenaphthylenyl)- are: (1)ACD/LogP: 3.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.63; (4)ACD/LogD (pH 7.4): 3.63; (5)ACD/BCF (pH 5.5): 340.4; (6)ACD/BCF (pH 7.4): 340.4; (7)ACD/KOC (pH 5.5): 2259.47; (8)ACD/KOC (pH 7.4): 2259.47; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.663; (14)Molar Refractivity: 61.68 cm³; (15)Molar Volume: 166.4 cm³; (16)Surface Tension: 49.9 dyne/cm; (17)Density: 1.179 g/cm³; (18)Flash Point: 167.8 °C; (19)Enthalpy of Vaporization: 62.51 kJ/mol; (20)Boiling Point: 377.3 °C at 760 mmHg; (21)Vapour Pressure: 6.81E-06 mmHg at 25 °C.

Preparation of Ethanone,1-(1,2-dihydro-5-acenaphthylenyl)-: this chemical can be prepared by Acenaphthene with Acetyl chloride. This reaction needs reagent AlCl₃ and solvent 1,2-dichloro-ethane at ambient temperature. The reaction time is 3 hours. The yield is 63 %.

Uses of Ethanone,1-(1,2-dihydro-5-acenaphthylenyl)-: it is used to produce other chemicals. For example, it can react with (4-Bromo-benzylidene)-naphthalen-2-yl-amine to get 1-Acenaphthen-5-yl-3-(4-bromo-phenyl)-benzo[f]quinoline. The reaction occurs with reagents HCl, nitrobenzene, solvent ethanol and other condition of heating. The yield is 46 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccc3c2c1cccc2CC3)C
(2) InChI: InChI=1/C14H12O/c1-9(15)12-8-7-11-6-5-10-3-2-4-13(12)14(10)11/h2-4,7-8H,5-6H2,1H3
(3) InChIKey: SYGRLGANSVWJGM-UHFFFAOYAM