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Synthesis and Molecular Structure of Acetic Acid-3,5-diacetoxy-2-acetoxymethyl-6-(4-quinoxalin-2-yl-phenoxy)-tetrahydro-pyran-4-yl-ester

Synthesis and Molecular Structure of Acetic Acid-3,5-diacetoxy-2-acetoxymethyl-6-(4-quinoxalin-2-yl-phenoxy)-tetrahydro-pyran-4-yl-ester
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摘要 The title compound, acetic acid-3,5-diacetoxy-2-acetoxymethyl-6-(4-quinoxalin- 2-yl-phenoxy)-tetrahydro-pyran-4-yl-ester 8 (C28H28N2O10, Mr = 552.54), has been synthesized and its crystal structure was determined by X-ray diffraction analysis. It crystallizes in monoclinic, space group P21, a = 10.060(8), b = 5.648(4), c = 24.11(2)A, β = 91.078(10)°, Z = 2, V= 1369.9(19)A^3, Dc = 1.339 g/cm^3,μ(MoKa) = 1.03 cm^-1, F(000) = 580.00, T =. 193.1 Kx-9 θmax = 25.03, (△/σ)max = 0.0000, Flack = -0.0(24), the final R = 0.0680 and wR = 0.140 (w = 1/[0.0016Fo^2 + 1.00000(Fo^2)]/(4Fo^2)) for 3126 observed reflections (1 〉 20(/)). The pyranoid ring adopts chair conformation in the sugar moiety, and all of the acetyl groups are in the e bond of the pyranoid ring, so the sugar moiety is very stable. The title compound, acetic acid-3,5-diacetoxy-2-acetoxymethyl-6-(4-quinoxalin- 2-yl-phenoxy)-tetrahydro-pyran-4-yl-ester 8 (C28H28N2O10, Mr = 552.54), has been synthesized and its crystal structure was determined by X-ray diffraction analysis. It crystallizes in monoclinic, space group P21, a = 10.060(8), b = 5.648(4), c = 24.11(2)A, β = 91.078(10)°, Z = 2, V= 1369.9(19)A^3, Dc = 1.339 g/cm^3,μ(MoKa) = 1.03 cm^-1, F(000) = 580.00, T =. 193.1 Kx-9 θmax = 25.03, (△/σ)max = 0.0000, Flack = -0.0(24), the final R = 0.0680 and wR = 0.140 (w = 1/[0.0016Fo^2 + 1.00000(Fo^2)]/(4Fo^2)) for 3126 observed reflections (1 〉 20(/)). The pyranoid ring adopts chair conformation in the sugar moiety, and all of the acetyl groups are in the e bond of the pyranoid ring, so the sugar moiety is very stable.
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2006年第8期1014-1018,共5页 结构化学(英文)
基金 This project was supported by the Key Laboratory of Organic Synthesis of Jiangsu Province
关键词 acetic acid-3 5-diacetoxy-2-acetoxymethyl-6-(4-quinoxalin-2-yl-phenoxy)-tetrahydro-pyran-4-yl-ester synthesis crystal structure acetic acid-3, 5-diacetoxy-2-acetoxymethyl-6-(4-quinoxalin-2-yl-phenoxy)-tetrahydro-pyran-4-yl-ester, synthesis, crystal structure
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