摘要The title compound 1-(N-tert-butyloxycarbonyl-L-prolyl)-1,3-dicyclohexylurea formed in the coupling reaction of N-Boc-L-proline and n-butyl amine activated by DCC as an unexpected product was characterized through IR, 1H NMR, 13C NMR and HRMS spectra as well as single-crystal X-ray diffraction analysis. The crystal (C23H39N3O4, Mr= 421.57) belongs to the orthorhombic system, space group P212121, a = 10.8990(5), b = 12.2153(6), c = 18.8102(9) Å, V = 2504.3(2) Å3, Z = 4, Dc = 1.118 g/cm3, λ(MoKα) = 0.71073 Å, μ = 0.076 mm-1, F(000) = 920, the final R = 0.0572 and wR = 0.1521 for 3564 observed reflections with I > 2σ(I).Anintramolecular hydrogen bond N(3)—H···O(2) is observed.
Abstract：The title compound 1-(N-tert-butyloxycarbonyl-L-prolyl)-1,3-dicyclohexylurea formed in the coupling reaction of N-Boc-L-proline and n-butyl amine activated by DCC as an unexpected product was characterized through IR, 1H NMR, 13C NMR and HRMS spectra as well as single-crystal X-ray diffraction analysis. The crystal (C23H39N3O4, Mr= 421.57) belongs to the orthorhombic system, space group P212121, a = 10.8990(5), b = 12.2153(6), c = 18.8102(9) Å, V = 2504.3(2) Å3, Z = 4, Dc= 1.118 g/cm3, λ(MoKα) = 0.71073 Å, μ = 0.076 mm-1, F(000) = 920, the final R = 0.0572 and wR = 0.1521 for 3564 observed reflections with I > 2σ(I). An intramolecular hydrogen bond N(3)—H···O(2) is observed.
2012, Vol. 31 
