O-ACETYLPHENYL BENZOATE

The Ethanone,1-[2-(benzoyloxy)phenyl]-, with the CAS registry number 4010-33-7, is also known as o-(Benzoyloxy)acetophenone. It belongs to the product category of Aromatic Acetophenones & Derivatives (substituted). This chemical's molecular formula is C₁₅H₁₂O₃ and molecular weight is 240.25. What's more, its systematic name is 2-acetylphenyl benzoate.

Physical properties of Ethanone,1-[2-(benzoyloxy)phenyl]- are: (1)ACD/LogP: 2.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.85; (4)ACD/LogD (pH 7.4): 2.85; (5)ACD/BCF (pH 5.5): 86.55; (6)ACD/BCF (pH 7.4): 86.55; (7)ACD/KOC (pH 5.5): 847.81; (8)ACD/KOC (pH 7.4): 847.81; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4 ; (12)Polar Surface Area: 43.37 Å²; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 67.92 cm³; (15)Molar Volume: 204.3 cm³; (16)Polarizability: 26.92×10^-24cm³; (17)Surface Tension: 45.1 dyne/cm; (18)Density: 1.175 g/cm³; (19)Flash Point: 188.6 °C; (20)Enthalpy of Vaporization: 67.37 kJ/mol; (21)Boiling Point: 420 °C at 760 mmHg; (22)Vapour Pressure: 2.92E-07 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-(2-hydroxy-phenyl)-ethanone and benzoyl chloride at the temperature of 20 °C. This reaction will need reagent pyridine with the reaction time of 2 hours. The yield is about 95%.

Uses of Ethanone,1-[2-(benzoyloxy)phenyl]-: it can be used to produce 1-(2-hydroxy-phenyl)-3-phenyl-propane-1,3-dione at the ambient temperature. It will need reagent NaH and solvent dimethylsulfoxide. The yield is about 84%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Oc1ccccc1C(=O)C)c2ccccc2
(2)InChI: InChI=1S/C15H12O3/c1-11(16)13-9-5-6-10-14(13)18-15(17)12-7-3-2-4-8-12/h2-10H,1H3
(3)InChIKey: UEVPPUDQJRWOLT-UHFFFAOYSA-N