2-(HYDROXYMETHYL)-12-CROWN 4-ETHER

The 1,4,7,10-Tetraoxacyclododecane-2-methanol is an organic compound with the formula C₉H₁₈O₅. The IUPAC name of this chemical is 1,4,7,10-tetraoxacyclododec-2-ylmethanol. With the CAS registry number 75507-26-5, it is also named as 2-(Hydroxymethyl)-12-crown-4. The product's categories are Crown Ethers; Functional Materials; Macrocycles for Host-Guest Chemistry. Besides, it is clear colourless viscous liquid, which should be stored in a closed drr and well-ventilated place.

Physical properties about 1,4,7,10-Tetraoxacyclododecane-2-methanol are: (1)ACD/LogP: -0.96; (2)ACD/LogD (pH 5.5): -0.96; (3)ACD/LogD (pH 7.4): -0.96; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 7.18; (7)ACD/KOC (pH 7.4): 7.18; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 46.15 Å²; (12)Index of Refraction: 1.42; (13)Molar Refractivity: 49.54 cm³; (14)Molar Volume: 195.6 cm³; (15)Polarizability: 19.64×10^-24cm³; (16)Surface Tension: 36.1 dyne/cm; (17)Density: 1.054 g/cm³; (18)Flash Point: 161.8 °C; (19)Enthalpy of Vaporization: 68.08 kJ/mol; (20)Boiling Point: 343.9 °C at 760 mmHg; (21)Vapour Pressure: 4.36E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-allyloxymethyl-1,4,7,10tetraoxa-cyclododecane. This reaction will need reagent 70 percent HClO4, catalyst 5percent Pd/C and solvent aq. ethanol. The reaction time is 24 hours with reaction temperature of 80 °C. The yield is about 90%.

Uses of 1,4,7,10-Tetraoxacyclododecane-2-methanol: it can be used to produce 2-chloromethyl-1,4,7,10-tetraoxa-cyclododecane by heating. It will need reagent C5H5N and SOCl2 and solvent benzene with the reaction time of 8 hours. The yield is about 80%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. 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: O1CCOCC(OCCOCC1)CO
(2)InChI: InChI=1/C9H18O5/c10-7-9-8-13-4-3-11-1-2-12-5-6-14-9/h9-10H,1-8H2
(3)InChIKey: NJIPEIQHUNDGPY-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C9H18O5/c10-7-9-8-13-4-3-11-1-2-12-5-6-14-9/h9-10H,1-8H2
(5)Std. InChIKey: NJIPEIQHUNDGPY-UHFFFAOYSA-N