N-BENZYL-2-AZETIDINEMETHANOL

The CAS register number of 2-Azetidinemethanol, 1-(phenylmethyl)- is 31247-34-4. The systematic name about this chemical is (1-benzylazetidin-2-yl)methanol. The molecular formula about this chemical is C₁₁H₁₅NO and the molecular weight is 177.245.

Physical properties about 2-Azetidinemethanol, 1-(phenylmethyl)- are: (1)ACD/LogP: 1.53; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 3; (6)#H bond acceptors: 2; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 23.47Ų; (10)Index of Refraction: 1.579; (11)Molar Refractivity: 52.797 cm³; (12)Molar Volume: 158.913 cm³; (13)Polarizability: 20.93x10^-24cm³; (14)Surface Tension: 46.855 dyne/cm; (15)Enthalpy of Vaporization: 54.258 kJ/mol; (16)Boiling Point: 275.213 °C at 760 mmHg; (17)Vapour Pressure: 0.002 mmHg at 25°C .

Preparation: this chemical can be prepared by 1-benzyl-azetidine-2-carboxylic acid ethyl ester. This reaction will need reagent LiAlH₄ and solvent tetrahydrofuran. The reaction temperature is  -78 - 20 ℃. The yield is about 90%.

Uses of 2-Azetidinemethanol, 1-(phenylmethyl)-: it can be used to produce N-benzyl-2-hydroxymethylazetidine N-oxide. This reaction will need reagent MCPBA. The yield is about 63%.

You can still convert the following datas into molecular structure:
(1)SMILES: OCC2CCN2Cc1ccccc1
(2)InChI: InChI=1/C11H15NO/c13-9-11-6-7-12(11)8-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2
(3)InChIKey: RPRDXAKZYYOKSG-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C11H15NO/c13-9-11-6-7-12(11)8-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2
(5)Std. InChIKey: RPRDXAKZYYOKSG-UHFFFAOYSA-N