ETHYL 4-ETHOXYPHENYLACETATE

The Benzeneacetic acid, 4-ethoxy-, ethyl ester, with the CAS registry number 40784-88-1, is also known as 4-Ethoxyphenylacetic acid ethyl ester. It belongs to the product category of Aromatic Esters. This chemical's molecular formula is C₁₂H₁₆O₃ and molecular weight is 208.25. What's more, its IUPAC name is Ethyl 2-(4-ethoxyphenyl)acetate. In addition, it must be stored in airtight containers and placed in a dry, cool place. During using it, you should avoid contacting with skin and eyes.

Physical properties about Benzeneacetic acid, 4-ethoxy-, ethyl ester are: (1)ACD/LogP: 2.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.94; (4)ACD/LogD (pH 7.4): 2.94; (5)ACD/BCF (pH 5.5): 101.73; (6)ACD/BCF (pH 7.4): 101.73; (7)ACD/KOC (pH 5.5): 951.81; (8)ACD/KOC (pH 7.4): 951.81; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.495; (14)Molar Refractivity: 58.15 cm³; (15)Molar Volume: 199.2 cm³; (16)Polarizability: 23.05×10^-24 cm³; (17)Surface Tension: 34.9 dyne/cm; (18)Density: 1.045 g/cm³; (19)Flash Point: 116.8 °C; (20)Enthalpy of Vaporization: 52.85 kJ/mol; (21)Boiling Point: 289.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00224 mmHg at 25 °C.

Preparation of Benzeneacetic acid, 4-ethoxy-, ethyl ester: this chemical is prepared by reaction of 4'-Ethoxyacetophenone. Firstly, 4'-Ethoxyacetophenone can react with Sodium hydroxide in the presence of Vulcanized piperazine to get 4-Ethoxyphenylacetic acid. The reaction time is 20 hours with reaction temperature of 135-140 °C. Then the target product can be obtained through esterification reaction of 4-Ethoxyphenylacetic acid.

Uses of Benzeneacetic acid, 4-ethoxy-, ethyl ester: 1.) it can be used as intermediate to produce Cycloprothrin; 2.)it is used to produce other chemicals. For example, it is used to produce (4-Ehoxyphenyl)-propanedioic acid, diethyl ester. This reaction needs reagent C₂H₅ONa and solvent Ehanol. The reaction time is 30 minutes with reaction temperature of 190-200 °C. The yield is about 70 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)Cc1ccc(OCC)cc1
(2) InChI: InChI=1/C12H16O3/c1-3-14-11-7-5-10(6-8-11)9-12(13)15-4-2/h5-8H,3-4,9H2,1-2H3
(3) InChIKey: KZWVNVPYBUGYTA-UHFFFAOYAM