3-Benzyloxy acetophenone

The IUPAC name of 3-Benzyloxy acetophenone is 1-(3-phenylmethoxyphenyl)ethanone. With the CAS registry number 34068-01-4 and EINECS 251-816-0, it is also named as Ethanone, 1-(3-(phenylmethoxy)phenyl)-. The product's categories are Aromatic Acetophenones & Derivatives (substituted); Aromatics. It is yellow liquid which should be sealed in the container and stored in the cool and dry place. In addition, when using this chemical, people should avoid contact with skin and eyes.

The other characteristics of this product can be summarized as:(1)ACD/LogP: 3.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.5; (4)ACD/LogD (pH 7.4): 3.5; (5)ACD/BCF (pH 5.5): 267.13; (6)ACD/BCF (pH 7.4): 267.13; (7)ACD/KOC (pH 5.5): 1899.54; (8)ACD/KOC (pH 7.4): 1899.54; (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: 1.569; (14)Molar Refractivity: 67.44 cm³; (15)Molar Volume: 205.6 cm³; (16)Polarizability: 26.73×10^-24 cm³; (17)Surface Tension: 41.2 dyne/cm; (18)Enthalpy of Vaporization: 59.9 kJ/mol; (19)Vapour Pressure: 3.44E-05 mmHg at 25°C; (20)Rotatable Bond Count: 4; (21)Tautomer Count: 2; (22)Exact Mass: 226.09938; (23)MonoIsotopic Mass: 226.09938; (24)Topological Polar Surface Area: 26.3; (25)Heavy Atom Count: 17; (26)Complexity: 243.

Preparation of 3-Benzyloxy acetophenone: It can be obtained by chloromethyl-benzene and 1-(3-hydroxy-phenyl)-ethanone. This reaction needs reagent potassium carbonat, sodium iodide and solvent dimethylformamide at temperature of 80 °C. The reaction time is 6.5 hours. The yield is 96%.

Uses of 3-Benzyloxy acetophenone: It can react with 2-acetoxy-propene to get acetic acid 1-(3-benzyloxy-phenyl)-vinyl ester. This reaction needs reagent p-TsOH by heating. The reaction time is 64 hours. The yield is 90%.

 People can use the following data to convert to the molecule structure. 
1. SMILES:O=C(c2cc(OCc1ccccc1)ccc2)C
2. InChI:InChI=1/C15H14O2/c1-12(16)14-8-5-9-15(10-14)17-11-13-6-3-2-4-7-13/h2-10H,11H2,1H3
3. InChIKey:FGQMEAWGAUALJQ-UHFFFAOYAS