ETHYL ALPHA-CHLOROPHENYLACETATE

The Benzeneacetic acid, a-chloro-, ethyl ester, with the CAS registry number 4773-33-5, is also known as Ethyl chloro(phenyl)acetate. It belongs to the product category of Pharmaceutical Intermediates. Its EINECS registry number is 225-315-2. This chemical's molecular formula is C₁₀H₁₁ClO₂ and molecular weight is 198.6461. What's more, its IUPAC name is Ethyl 2-chloro-2-phenylacetate. In addition, it should be sealed up and avoid strong oxidizer.

Physical properties about Benzeneacetic acid, a-chloro-, ethyl ester are: (1)ACD/LogP: 2.67; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.67; (4)ACD/LogD (pH 7.4): 2.67; (5)ACD/BCF (pH 5.5): 63.08; (6)ACD/BCF (pH 7.4): 63.08; (7)ACD/KOC (pH 5.5): 676.02; (8)ACD/KOC (pH 7.4): 676.02; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.516; (14)Molar Refractivity: 51.69 cm³; (15)Molar Volume: 170.8 cm³; (16)Polarizability: 20.49×10^-24 cm³; (17)Surface Tension: 38.3 dyne/cm; (18)Density: 1.162 g/cm³; (19)Flash Point: 118 °C; (20)Enthalpy of Vaporization: 49.56 kJ/mol; (21)Boiling Point: 258 °C at 760 mmHg; (22)Vapour Pressure: 0.0141 mmHg at 25 °C; (23)Refractive index: n20/D 1.515(lit.); (24)Fp: >230 °F. 

Preparation of Benzeneacetic acid, a-chloro-, ethyl ester: this chemical can be prepared by Chloro-phenyl-acetyl chloride and Ethanol. This reaction needs reagent Et₃N and solvent Tetrahydrofuran at temperature of 20 °C. The yield is 95%.

Use of Benzeneacetic acid, a-chloro-, ethyl ester: it can react with 6-Methyl-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one to give (4-Methyl-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl)-phenyl-acetic acid ethyl ester. The reaction occurs with reagent anh. K₂CO₃ and solvents Dimethylformamide and Acetone. The yield is 80%.

When you are dealing with this chemical, you should be very careful. This chemical may destroy living tissue on contact and cause burns. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. In addition, in case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1) SMILES: ClC(C(=O)OCC)c1ccccc1
(2) InChI: InChI=1/C10H11ClO2/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
(3) InChIKey: XXRLJXZVZZXDPP-UHFFFAOYAJ