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Name |
2-Azetidinemethanol, 1-(phenylmethyl)- |
EINECS | N/A |
CAS No. | 31247-34-4 | Density | 1.115 g/cm3 |
PSA | 23.47000 | LogP | 1.19110 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H15NO | Boiling Point | 275.213 °C at 760 mmHg |
Molecular Weight | 177.246 | Flash Point | 125.677 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(1-benzylazetidin-2-yl)methanol;(1-benzyl-azetidin-2-yl)-methanol; |
Article Data | 7 |
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: 23.47Å2; (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