DIBENZYL CARBONATE

The Carbonic acid,bis(phenylmethyl) ester, with the CAS registry number 3459-92-5, is also known as Benzyl carbonate. It belongs to the product categories of Protection & Derivatization Reagents (for Synthesis); Synthetic Organic Chemistry; Carbonates; Carbonyl Compounds; Organic Building Blocks. Its EINECS number is 222-401-1. This chemical's molecular formula is C₁₅H₁₄O₃ and molecular weight is 242.27. What's more, its systematic name is dibenzyl carbonate. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. What's more, it should be protected from light. 

Physical properties of Carbonic acid,bis(phenylmethyl) ester are: (1)ACD/LogP: 3.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.7; (4)ACD/BCF (pH 5.5): 382.19; (5)ACD/KOC (pH 5.5): 2454.72; (6)#H bond acceptors: 3; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 6; (9)Polar Surface Area: 35.53 Å²; (10)Index of Refraction: 1.567; (11)Molar Refractivity: 68.44 cm³; (12)Molar Volume: 209.3 cm³; (13)Surface Tension: 44.3 dyne/cm; (14)Density: 1.157 g/cm³; (15)Flash Point: 138.4 °C; (16)Enthalpy of Vaporization: 60.56 kJ/mol; (17)Boiling Point: 360 °C at 760 mmHg; (18)Vapour Pressure: 2.29E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by bromomethyl-benzene, Potassium carbonate at the temperature of 40 °C. This reaction will need solvent dimethylformamide with the reaction time of 8 hours. This reaction will also need catalyst 10 mol percent chlorotributylstannane (Bu₃SnCl). The yield is about 57%.

Uses of Carbonic acid,bis(phenylmethyl) ester: it can be used to produce benzylsulfanyl-benzene at the temperature of 100 °C. It will need reagent K₂CO₃, 18-Crown-6 with the reaction time of 8 hours. The yield is about 84%.

When you are using this chemical, please be cautious about it as the following:
It is harmful in contact with skin and if swallowed. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)COC(=O)OCC2=CC=CC=C2
(2)InChI: InChI=1S/C15H14O3/c16-15(17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2
(3)InChIKey: PIZLBWGMERQCOC-UHFFFAOYSA-N