3-Azetidinol,1-(diphenylmethyl)-, 3-methanesulfonate (33301-41-6)

The IUPAC name of  1-(Diphenylmethyl)-3-azetidinyl methanesulfonate is (1-benzhydrylazetidin-3-yl)methanesulfonic acid. With the CAS registry number 33301-41-6, it is also named as 3-Azetidinol, 1-(diphenylmethyl)-, methanesulfonate (ester). The product's categories are Aromatics; Heterocycles; MTS & Sulfhydryl Active Reagents. It is white crystalline solid which is a proline analog and proline formation inhibitor. 

The other characteristics of this product can be summarized as:  (1)ACD/LogP: 2.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.68; (4)ACD/LogD (pH 7.4): 2.27; (5)ACD/BCF (pH 5.5): 8; (6)ACD/BCF (pH 7.4): 30.79; (7)ACD/KOC (pH 5.5): 104; (8)ACD/KOC (pH 7.4): 400.38; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 54.99 Å²; (13)Index of Refraction: 1.622; (14)Molar Refractivity: 86.97 cm³; (15)Molar Volume: 246.7 cm³; (16)Polarizability: 34.47×10^-24cm³; (17)Surface Tension: 54.5 dyne/cm; (18)Density: 1.28 g/cm³; (19)Flash Point: 231.9 °C; (20)Enthalpy of Vaporization: 72.05 kJ/mol; (21)Boiling Point: 459.9 °C at 760 mmHg; (22)Vapour Pressure: 1.22E-08 mmHg at 25°C.

Preparation of 1-(Diphenylmethyl)-3-azetidinyl methanesulfonate: It can be obtained by methanesulfonyl chloride and 1-benzhydryl-azetidin-3-ol. This reaction needs reagent NEt₃ and solvent benzene.

Uses of 1-(Diphenylmethyl)-3-azetidinyl methanesulfonate: It can react with phthalimide; potassium salt to get benzhydryl-1 phthalimido-3 azetidine. This reaction needs reagent de bromure d'hexadecyl-tributyl phosphonium and solvent toluene by heating. The reaction time is 5 hours. The yield is 67 %. 

People can use the following data to convert to the molecule structure.
(1)SMILES: O=S(=O)(OC3CN(C(c1ccccc1)c2ccccc2)C3)C
(2)InChI: InChI=1/C17H19NO3S/c1-22(19,20)21-16-12-18(13-16)17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3
(3)InChIKey: MSVZMUILYMLJCF-UHFFFAOYAP