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首页> 外文期刊>Chemistry: A European journal >Benzoyl Transfer Reactivities of Racemic 2,4-Di-O-acyl-myo-inosityl 1,3,5-Orthoesters in the Solid State:Molecular Packing and Intermolecular Interactions Correlate with the Ease of the Reaction
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Benzoyl Transfer Reactivities of Racemic 2,4-Di-O-acyl-myo-inosityl 1,3,5-Orthoesters in the Solid State:Molecular Packing and Intermolecular Interactions Correlate with the Ease of the Reaction

机译：固态外消旋2,4-二-O-酰基-肌-肌醇1,3,5-原酸酯的苯甲酰转移反应性：分子堆积和分子间相互作用与反应容易相关

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摘要

Racemic 2,4-di-O-acyl-myo-inosityl 1,3,5-orthoesters undergo trans-esterification catalyzed by sodium carbonate with varying ease of reaction in the solid state;reactions in solution and melt do not show such varied differences.An interesting crystal of a 1:1 molecular complex of highly reactive racemic 2,4-di-O-benzoyl-myo-inosityl 1,3,5-orthoformate and its orthoacetate analogue exhibited better reactivity than the latter component alone.Single-crystal X-ray structures of the reactants have been correlated with the observed differences in the acyl-trans-fer efficiencies in the solid state.Although each of the derivatives helically self-assembles around the crystallo-graphic 2_1 axis linked through O-H...O hydrogen bonding,the pre-organization of the reactive groups (C=O [El] and OH [Nu]),C-H...O and the C...Hpi interactions are significantly more favourable for the reactive derivatives than the less reactive ones.Bond-length distributions also showed differences;the O-C bond of the axial benzoyl group,which gets cleaved during the reaction,is longer (1.345-1.361 A) relative to the chemically equivalent O-C bond of the equatorial benzoyl group (1.316-1.344 A) in the reactive derivatives.These bond-length differences are not significant in the less reactive derivatives.The overall molecular organization is different too;the strikingly discrete helices,which may be viewed as "reaction tunnels" and are held by interhelical interactions,are clearly evident in the reactive derivatives in comparison with the less reactive ones.
机译：外消旋的2,4-二-O-酰基-肌-肌醇1,3,5-原酸酯在碳酸钠的催化下发生酯交换反应，在固态下易变;溶液和熔体中的反应没有这种差异高反应性外消旋2,4-二-O-苯甲酰基-肌-肌醇1,3,5-原甲酸酯及其原酸酯类似物的1：1分子复合物的有趣晶体显示出比仅后者的组分更好的反应性。反应物的晶体X射线结构与固态酰基转移效率的差异有关。尽管每种衍生物都围绕通过OH连接的晶体图2_1轴螺旋自组装。 O氢键，反应性基团的预组织（C = O [El]和OH [Nu]），CH ... O和C ... Hpi相互作用对反应性衍生物的促进作用明显优于键长分布也显示出不同; a的OC键在反应过程中裂解的顺式苯甲酰基相对于反应性衍生物中赤道苯甲酰基的化学等价OC键（1.316-1.344 A）更长（1.345-1.361 A）。这些键长差异不明显整体分子结构也不同;与反应性较低的衍生物相比，在反应性衍生物中明显可见明显的离散螺旋，这些螺旋被视为“反应通道”并由螺旋间相互作用保持。

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