The Benzeneacetic acid, a-acetyl-, ethyl ester, with the CAS registry number 5413-05-8, is also known as 2-Phenylacetoacetic acid ethyl ester and Ethyl acetylphenylacetate. It belongs to the product category of Aromatics Compounds. Its EINECS registry number is 226-500-0. This chemical's molecular formula is C₁₂H₁₄O₃ and molecular weight is 206.24. What's more, both its IUPAC name and systematic name are the same which is called Ethyl 3-oxo-2-phenylbutanoate. When you are dealing with this chemical, you should avoid contacting with skin and eyes.

Physical properties about this chemical are: (1)ACD/LogP: 2.53; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.53; (4)ACD/LogD (pH 7.4): 2.53; (5)ACD/BCF (pH 5.5): 48.94; (6)ACD/BCF (pH 7.4): 48.92; (7)ACD/KOC (pH 5.5): 563.75; (8)ACD/KOC (pH 7.4): 563.46; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 43.37Ų; (13)Index of Refraction: 1.503; (14)Molar Refractivity: 56.14 cm³; (15)Molar Volume: 189.6 cm³; (16)Surface Tension: 38.2 dyne/cm; (17)Density: 1.087 g/cm³; (18)Flash Point: 119.2 °C; (19)Enthalpy of Vaporization: 52.04 kJ/mol; (20)Boiling Point: 281.6 °C at 760 mmHg; (21)Vapour Pressure: 0.00354 mmHg at 25 °C; (22)Melting Point: 140-144 °C.

Preparation of Benzeneacetic acid, a-acetyl-, ethyl ester: this chemical can be prepared by 3-Oxo-2-phenyl-butyrimidic acid ethyl ester.

This reaction needs reagent Conc. HCl and solvent Ethanol at temperature of 40 °C. The reaction time is 1.5 hours. The yield is 97%.

Uses of Benzeneacetic acid, a-acetyl-: it is used to produce other chemicals. For example, it is used to produce Diazo-phenyl-acetic acid ethyl ester.

The reaction occurs with reagents NaH, TsN₃ and other condition of heating for 45 min. The yield is 43%.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)C(C(=O)C)c1ccccc1
(2) InChI: InChI=1/C12H14O3/c1-3-15-12(14)11(9(2)13)10-7-5-4-6-8-10/h4-8,11H,3H2,1-2H3
(3) InChIKey: PWRUKIPYVGHRFL-UHFFFAOYAT