2-(6-BROMOHEXYLOXY)TETRAHYDRO-2H-PYRAN

The 2H-Pyran,2-[(6-bromohexyl)oxy]tetrahydro-, with the CAS registry number 53984-36-4, is also known as 1-(2H-3,4,5,6-Tetrahydropyran-2-yloxy)-6-bromohexane and 1-Bromo-6-tetrahydropyranyloxyhexane. Its EINECS registry number is 258-891-9. This chemical's molecular formula is C₁₁H₂₁BrO₂ and molecular weight is 265.1872. What's more, its systematic name is called 2-[(6-Bromohexyl)oxy]tetrahydro-2H-pyran.

Physical properties about this chemical are: (1)ACD/LogP: 2.68; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.68; (4)ACD/LogD (pH 7.4): 2.68; (5)ACD/BCF (pH 5.5): 64; (6)ACD/BCF (pH 7.4): 64; (7)ACD/KOC (pH 5.5): 683.1; (8)ACD/KOC (pH 7.4): 683.1; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.48; (14)Molar Refractivity: 62.12 cm³; (15)Molar Volume: 218.3 cm³; (16)Surface Tension: 35.4 dyne/cm; (17)Density: 1.21 g/cm³; (18)Flash Point: 127.5 °C; (19)Enthalpy of Vaporization: 53.66 kJ/mol; (20)Boiling Point: 317.4 °C at 760 mmHg; (21)Vapour Pressure: 0.000717 mmHg at 25 °C.

Preparation of 2H-Pyran,2-[(6-bromohexyl)oxy]tetrahydro-: this chemical can be prepared by 3,4-Dihydro-2H-pyran and 6-Bromo-hexan-1-ol.

This reaction needs reagent PPTS and solvent CH₂Cl₂ at temperature of 20 °C. The reaction time is 23 hours. The yield is 97%.

Uses of 2H-Pyran,2-[(6-bromohexyl)oxy]tetrahydro-: it is used to produce other chemicals. For example, it is used to produce 2-{[6-(1,3-Cyclopentadien-1-yl)hexyl]oxy}tetrahydro-2H-pyran.

The reaction occurs with solvents Tetrahydrofuran, Hexane at temperature of 15 °C. The reaction time is 44 hours. The yield is 60%.

You can still convert the following datas into molecular structure:
(1) SMILES: BrCCCCCCOC1OCCCC1
(2) InChI: InChI=1/C11H21BrO2/c12-8-4-1-2-5-9-13-11-7-3-6-10-14-11/h11H,1-10H2
(3) InChIKey: CWSSIUJITPYGLK-UHFFFAOYAT