(S)-tert-Butyl 2-(tosyloxymethyl)pyrrolidine-1-carboxylate (86661-32-7)

The (S)-tert-Butyl 2-(tosyloxymethyl)pyrrolidine-1-carboxylate, with the cas registry number 86661-32-7, has the systematic name of tert-butyl (2S)-2-({[(4-methylphenyl)sulfonyl]oxy}methyl)pyrrolidine-1-carboxylate. And the molecular formula of the chemical is C₁₇H₂₅NO₅S.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.78; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 81.29 Å²; (7)Index of Refraction: 1.532; (8)Molar Refractivity: 91.923 cm³; (9)Molar Volume: 296.831 cm³; (10)Polarizability: 36.441×10^-24cm³; (11)Surface Tension: 42.793 dyne/cm; (12)Density: 1.197 g/cm³; (13)Flash Point: 240.798 °C; (14)Enthalpy of Vaporization: 73.789 kJ/mol; (15)Boiling Point: 474.547 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.
 
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(=O)(OC[C@H]1N(C(=O)OC(C)(C)C)CCC1)c2ccc(cc2)C
(2)InChI: InChI=1/C17H25NO5S/c1-13-7-9-15(10-8-13)24(20,21)22-12-14-6-5-11-18(14)16(19)23-17(2,3)4/h7-10,14H,5-6,11-12H2,1-4H3/t14-/m0/s1
(3)InChIKey: VSVOPDINJSHSBZ-AWEZNQCLBK