Phenacyl 4-(bromomethyl)phenylacetate

The Phenacyl 4-(bromomethyl)phenylacetate, with the CAS registry number 66270-97-1, is also known as 4-(Bromomethyl)phenylacetic acid phenacyl ester. This chemical's molecular formula is C₁₇H₁₅BrO₃ and molecular weight is 347.20. What's more, its systematic name is 2-Oxo-2-phenylethyl [4-(bromomethyl)phenyl]acetate and it belongs to the product categories of Protection & Derivatization Reagents (for Synthesis); Synthetic Organic Chemistry. This chemical should be stored at room temperature.

Physical properties of Phenacyl 4-(bromomethyl)phenylacetate are: (1)ACD/LogP: 4.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.23; (4)ACD/LogD (pH 7.4): 4.23; (5)ACD/BCF (pH 5.5): 969.52; (6)ACD/BCF (pH 7.4): 969.52; (7)ACD/KOC (pH 5.5): 4779.43; (8)ACD/KOC (pH 7.4): 4779.43; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 43.37 Å²; (13)Index of Refraction: 1.597; (14)Molar Refractivity: 84.45 cm³; (15)Molar Volume: 247.6 cm³; (16)Polarizability: 33.48×10^-24 cm³; (17)Surface Tension: 49.7 dyne/cm; (18)Density: 1.401 g/cm³; (19)Flash Point: 230.7 °C; (20)Enthalpy of Vaporization: 71.8 kJ/mol; (21)Boiling Point: 457.8 °C at 760 mmHg; (22)Vapour Pressure: 1.44E-08 mmHg at 25°C.

Uses of Phenacyl 4-(bromomethyl)phenylacetate: it can be used to produce 4-(tert-butoxycarbonylaminoacetoxymethyl) phenylacetic acid at the temperature of 50 °C. It will need reagent KF and solvent dimethylformamide with the reaction time of 4 hours. The yield is about 84%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. After contact with skin, you should take off immediately all contaminated clothing and wash immediately with plenty of ... (to be specified by the manufacturer).When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCc1ccc(cc1)CC(=O)OCC(=O)c2ccccc2
(2)InChI: InChI=1/C17H15BrO3/c18-11-14-8-6-13(7-9-14)10-17(20)21-12-16(19)15-4-2-1-3-5-15/h1-9H,10-12H2
(3)InChIKey: BUQPIKAEKYNDAS-UHFFFAOYSA-N