1-(1,1-Dimethylethyl) 4-(4-carboxyphenyl)-1-piperidinecarboxylate

Production Example 1-12 A mixture of 4-(piperidin-4-yl)benzoic acid hydrochloride described in Production Example 1-5 (2.00 g, 8.27 mmol), a 1 M sodium hydroxide solution (25 mL, 25 mmol), and acetone (50 mL) was stirred at 25° C., and a solution of di-tert-butyl dicarbonate (1.9 g, 8.71 mmol) in acetone (25 mL) was added dropwise over 10 minutes. The mixture was stirred under nitrogen atmosphere at 25° C. for 18 hours. 1 M hydrochloric acid (17 mL) was added under cooling at 0° C. The mixture was extracted with ethyl acetate (100 mL) twice. The organic layer was washed with a saturated saline solution (50 mL). The organic layer was dried over anhydrous magnesium sulfate and then concentrated under vacuum. n-Heptane and tert-butyl methyl ether were added to the concentrated residue and the product was collected by filteration and washed with n-heptane to obtain the title compound (2.30 g, 91percent).

Molecular Weight:305.4
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:305.16270821
Monoisotopic Mass:305.16270821
Topological Polar Surface Area:66.8
Heavy Atom Count:22
Complexity:399
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes