2-(4-CHLOROBUTOXY)TETRAHYDROPYRAN

The CAS register number of 2H-Pyran,2-(4-chlorobutoxy)tetrahydro- is 41302-05-0. It also can be called as 4-Chloro-1-(tetrahydropyranyloxy)butane and the IUPAC name about this chemical is 2-(4-chlorobutoxy)oxane. The molecular formula about this chemical is C₉H₁₇ClO₂ and the molecular weight is 192.68.

Physical properties about 2H-Pyran,2-(4-chlorobutoxy)tetrahydro- are: (1)ACD/LogP: 1.58; (2)ACD/LogD (pH 5.5): 1.58; (3)ACD/LogD (pH 7.4): 1.58; (4)ACD/BCF (pH 5.5): 9.27; (5)ACD/BCF (pH 7.4): 9.27; (6)ACD/KOC (pH 5.5): 171.34; (7)ACD/KOC (pH 7.4): 171.34; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 18.46 Å²; (11)Index of Refraction: 1.456; (12)Molar Refractivity: 49.96 cm³; (13)Molar Volume: 183.5 cm³; (14)Polarizability: 19.8x10^-24cm³; (15)Surface Tension: 32.5 dyne/cm; (16)Density: 1.04 g/cm³; (17)Flash Point: 93.9 °C; (18)Enthalpy of Vaporization: 48.58 kJ/mol; (19)Boiling Point: 268.2 °C at 760 mmHg; (20)Vapour Pressure: 0.0129 mmHg at 25 °C.

Preparation: this chemical can be prepared by 4-chloro-butan-1-ol and 3,4-dihydro-2H-pyran. The yield is about 80%.

Uses of 2H-Pyran,2-(4-chlorobutoxy)tetrahydro-: it can be used to produce 1-[4-(tetrahydro-pyran-2-yloxy)-butyl]-piperidin-2-one with piperidin-2-one. This reaction needs heating. This reaction will need reagents of Bu₄NBr, KOH and solvent of tetrahydrofuran. The reaction time is 9 hours. The yield is about 44%.

When you are using this chemical, please be cautious about it as the following:
This chemical is slightly hazardous to water. It is not permitted undiluted product or large quantities to reach ground water, water course or sewage system. If no official permission, do not put materials into the permission surroundings. Normally it will not be decomposed and no dangerous reaction. If you want to store it, you should keep the container tightly sealed in dry, cool places.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCCCCOC1OCCCC1
(2)InChI: InChI=1/C9H17ClO2/c10-6-2-4-8-12-9-5-1-3-7-11-9/h9H,1-8H2
(3)InChIKey: SZZINZURZKQZLG-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C9H17ClO2/c10-6-2-4-8-12-9-5-1-3-7-11-9/h9H,1-8H2
(5)Std. InChIKey: SZZINZURZKQZLG-UHFFFAOYSA-N