2-(3-BUTYNYLOXY)TETRAHYDRO-2 H-PYRAN

The CAS register number of 2H-Pyran,2-(3-butyn-1-yloxy)tetrahydro- is 40365-61-5. It also can be called as 3-Butyn-1-ol tetrahydropyranyl ether and the IUPAC name about this chemical is 2-but-3-ynoxyoxane. The molecular formula about this chemical is C₉H₁₄O₂ and the molecular weight is 154.21. It belongs to the following product categories which include Organoborons; Pyran; Building Blocks; Heterocyclic Building Blocks; Pyrans and so on.

Physical properties about 2H-Pyran,2-(3-butyn-1-yloxy)tetrahydro- are: (1)ACD/LogP: 0.71; (2)ACD/LogD (pH 5.5): 0.71; (3)ACD/LogD (pH 7.4): 0.71; (4)ACD/BCF (pH 5.5): 2.03; (5)ACD/BCF (pH 7.4): 2.03; (6)ACD/KOC (pH 5.5): 57.77; (7)ACD/KOC (pH 7.4): 57.77; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 18.46 Å²; (11)Index of Refraction: 1.459; (12)Molar Refractivity: 42.93 cm³; (13)Molar Volume: 156.8 cm³; (14)Polarizability: 17.02x10^-24cm³; (15)Surface Tension: 34 dyne/cm; (16)Density: 0.98 g/cm³; (17)Flash Point: 72.8 °C; (18)Enthalpy of Vaporization: 42.48 kJ/mol; (19)Boiling Point: 206.6 °C at 760 mmHg; (20)Vapour Pressure: 0.338 mmHg at 25 °C.

Preparation: this chemical can be prepared by 3,4-dihydro-2H-pyran and but-3-yn-1-ol. This reaction will need reagent of camphorsulfonic acid and solvent of CH₂Cl₂. The yield is about 91%.

Uses of 2H-Pyran,2-(3-butyn-1-yloxy)tetrahydro-: it can be used to produce 6-tetrahydropyran-2-yloxy-hex-3-yn-1-ol with oxirane. This reaction needs THF. This reaction will need reagent of EtMgBr. The reaction time is 1 hour with reaction temperature of 40-45 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed and irritating to eyes, respiratory system and skin. It may cause damage to health. If you want to use it, wear suitable gloves and eye/face protection and do not breathe vapour. After contact with skin, wash immediately with plenty of soap-suds. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O(CCC#C)C1OCCCC1
(2)InChI: InChI=1/C9H14O2/c1-2-3-7-10-9-6-4-5-8-11-9/h1,9H,3-8H2
(3)InChIKey: ZQZSNKJFOFAJQX-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C9H14O2/c1-2-3-7-10-9-6-4-5-8-11-9/h1,9H,3-8H2
(5)Std. InChIKey: ZQZSNKJFOFAJQX-UHFFFAOYSA-N