The title compound （2S,2＇S,4＇R）-2-（1-hydroxy-1-ethylpropyl）-1-[（1＇-p-tosyl-4＇- hydroxypyrolidin-2＇-yl）methyl]pyrrolidine synthesized by using （2S,4R）-4-hydroxy-L-proline and L-proline as the main material...The title compound （2S,2＇S,4＇R）-2-（1-hydroxy-1-ethylpropyl）-1-[（1＇-p-tosyl-4＇- hydroxypyrolidin-2＇-yl）methyl]pyrrolidine synthesized by using （2S,4R）-4-hydroxy-L-proline and L-proline as the main materials was characterized through IR, ^1H NMR, ^13C NMR and HRMS spectra as well as single-crystal X-ray diffraction analysis. There is one equivalent ethanol involved in the crystal （C23H40N2O5S, Mr = 456.63）. The crystal belongs to the triclinic system, space group P1, a = 6.5628（13）, b = 8.4228（17）, c = 11.957（2）°A, α= 80.54（3）,β= 83.19（3）, γ= 89.89（3）°, V= 647.3（2） °A^3, Z = 1, D, = 1.171 g/cm^3, λ（MoKα） = 0.71073°A,β = 0.158 mm^-1, F（000） = 248, the final R = 0.0465 and wR = 0.1336 for 1769 observed reflections with I〉 2σ（I）. The adjacent molecules of compound 5 are linked through intermolecular hydrogen bonds formed by the secondary hydroxy group of one molecule with the tertiary hydroxy group of another one, and the molecular chains are further linked by ethanol through two kinds of hydrogen bonds with two molecules from different chains respectively to form a supramolecular structure.展开更多
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 I...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） ,V = 2504.3（2） 3,Z = 4,Dc = 1.118 g/cm3,λ（MoKα） = 0.71073 ,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.展开更多
基金Supported by the National Natural Science Foundation of China (No. 20372059)
文摘The title compound （2S,2＇S,4＇R）-2-（1-hydroxy-1-ethylpropyl）-1-[（1＇-p-tosyl-4＇- hydroxypyrolidin-2＇-yl）methyl]pyrrolidine synthesized by using （2S,4R）-4-hydroxy-L-proline and L-proline as the main materials was characterized through IR, ^1H NMR, ^13C NMR and HRMS spectra as well as single-crystal X-ray diffraction analysis. There is one equivalent ethanol involved in the crystal （C23H40N2O5S, Mr = 456.63）. The crystal belongs to the triclinic system, space group P1, a = 6.5628（13）, b = 8.4228（17）, c = 11.957（2）°A, α= 80.54（3）,β= 83.19（3）, γ= 89.89（3）°, V= 647.3（2） °A^3, Z = 1, D, = 1.171 g/cm^3, λ（MoKα） = 0.71073°A,β = 0.158 mm^-1, F（000） = 248, the final R = 0.0465 and wR = 0.1336 for 1769 observed reflections with I〉 2σ（I）. The adjacent molecules of compound 5 are linked through intermolecular hydrogen bonds formed by the secondary hydroxy group of one molecule with the tertiary hydroxy group of another one, and the molecular chains are further linked by ethanol through two kinds of hydrogen bonds with two molecules from different chains respectively to form a supramolecular structure.
基金Supported by the Natural Science Foundation of China (No. 21072089)
文摘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） ,V = 2504.3（2） 3,Z = 4,Dc = 1.118 g/cm3,λ（MoKα） = 0.71073 ,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.
