2-PHENOXYTETRAHYDROPYRAN

The CAS register number of 2H-Pyran,tetrahydro-2-phenoxy- is 4203-50-3. It also can be called as Phenyl 2-tetrahydropyranyl ether and the systematic name about this chemical is 2-phenoxytetrahydro-2H-pyran. The molecular formula about this chemical is C₁₁H₁₄O₂ and the molecular weight is 178.23.

Physical properties about 2H-Pyran,tetrahydro-2-phenoxy- are: (1)ACD/LogP: 2.13; (2)ACD/LogD (pH 5.5): 2.13; (3)ACD/LogD (pH 7.4): 2.13; (4)ACD/BCF (pH 5.5): 24.47; (5)ACD/BCF (pH 7.4): 24.47; (6)ACD/KOC (pH 5.5): 343.29; (7)ACD/KOC (pH 7.4): 343.29; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 18.46 Å²; (11)Index of Refraction: 1.522; (12)Molar Refractivity: 50.95 cm³; (13)Molar Volume: 166.9 cm³; (14)Polarizability: 20.2x10^-24cm³; (15)Surface Tension: 38.5 dyne/cm; (16)Density: 1.067 g/cm³; (17)Flash Point: 109.5 °C; (18)Enthalpy of Vaporization: 49.25 kJ/mol; (19)Boiling Point: 274.7 °C at 760 mmHg; (20)Vapour Pressure: 0.00891 mmHg at 25 °C.

Preparation: this chemical can be prepared by 3,4-dihydro-2H-pyran and phenol. This reaction will need reagent of zirconium tetrachloride and solvent of CH₂Cl₂. The reaction time is 1 hour. The yield is about 99%.

Uses of 2H-Pyran,tetrahydro-2-phenoxy-: it can be used to produce 2-phenethyl-tetrahydro-pyran with phenethylmagnesium bromide. This reaction will need reagent of TiCl₄ and solvent of tetrahydrofuran. The reaction time is 6 hours with reaction temperature of -78 °C. The yield is about 68%.

When you are using this chemical, please be cautious about it as the following:
This chemical is stable under normal temperature and pressure. If you want to store it, you should keep the container tightly sealed in dry, cool places. Usually is not harmful to water, if no official permission, do not put materials into the permission surroundings.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccccc1)C2OCCCC2
(2)InChI: InChI=1/C11H14O2/c1-2-6-10(7-3-1)13-11-8-4-5-9-12-11/h1-3,6-7,11H,4-5,8-9H2
(3)InChIKey: SHRDVLUJLDYXSO-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C11H14O2/c1-2-6-10(7-3-1)13-11-8-4-5-9-12-11/h1-3,6-7,11H,4-5,8-9H2
(5)Std. InChIKey: SHRDVLUJLDYXSO-UHFFFAOYSA-N