(S,S)-4-(Acetoxymethyl)-2-phenyl-1,3-dioxane | 140210-14-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二恶烷
• 英文名称: (S,S)-4-(Acetoxymethyl)-2-phenyl-1,3-dioxane
• 英文别名: (S,S)-4-acetoxymethyl-2-phenyl-1,3-dioxane；[(2S,4S)-2-phenyl-1,3-dioxan-4-yl]methyl acetate
• CAS: 140210-14-6；140210-15-7
• 化学式: C₁₃H₁₆O₄
• 分子量: 236.268
• InChiKey: LVMONLQKKAIJMO-STQMWFEESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-羟基甲基-2-苯基-1,3-二噁烷 以69%的产率得到
  参考文献：
  名称：

  Herradon B., J. Org. Chem, 59 (1994) N 10, S 2891-2893

  摘要：

  DOI：

文献信息

• Biocatalytic synthesis of chiral polyoxygenated compounds: modulation of the selectivity upon changes in the experimental conditions
  作者：Bernardo Herradón、Serafín Valverde

  DOI：10.1016/0957-4166(94)80118-5

  日期：1994.8

  transesterification reaction catalyzed by Pseudomonas fluorescens lipase (PFL) in organic solvents. The influence of the solvent on the enantioselectivity has been thoroughly examined. It has been found that the enantioselectivity depends on both the hydrophobicity and the polarity of the solvent in a semi-quantitative way. The influence of other experimental variables (temperature, amounts of lipase and acylating

  通过在有机溶剂中由荧光假单胞菌脂肪酶（PFL）催化的酯交换反应获得了丁烷-1,2,4-三醇的两种对映异构体的衍生物。已经彻底检查了溶剂对对映选择性的影响。已经发现，对映选择性以半定量方式取决于溶剂的疏水性和极性。还研究了其他实验变量（温度，脂肪酶和酰化剂的量，水的添加，分子筛的添加）对对映选择性的影响。
• Lipase catalyzed kinetic resolution of (±)-cis-4-hydroxymethyl-2-phenyl-1,3-dioxane.
  作者：Bernardo Herradón

  DOI：10.1016/s0957-4166(00)80192-5

  日期：1992.1

  The title compound has been kinetically resolved through a lipase catalyzed transesterification in organic solvents. The influence of the enzyme source, as well as the nature of the solvent on the enantioselectivity have been studied.
• Influence of the Nature of the Solvent on the Enantioselectivity of Lipase-Catalyzed Transesterifications: A Comparison between the Lipases from Porcine Pancreas and Pseudomonas Fluorescens
  作者：Bernardo Herradon

  DOI：10.1021/jo00089a040

  日期：1994.5
• Regio- and enantioselective esterifications of polyoxygenated compounds catalyzed by lipases
  作者：Bernardo Herradón、Sénida Cueto、Anabel Morcuende、Serafín Valverde

  DOI：10.1016/s0957-4166(00)80123-8

  日期：1993.5

  The lipase catalyzed esterifications of derivatives of propane-1,2,3-triol and butane-1,2,4-triol in organic solvents have been studied. The influence of several factors (lipase source, organic solvent, additives and structural variations in die substrates) on the selectivity have been investigated. Good levels of regio- and enantioselectivity have been achieved, providing practical methods for the synthesis of these chiral building blocks.
• Herradon B., J. Org. Chem, 59 (1994) N 10, S 2891-2893
  作者：Herradon B.

  DOI：——

  日期：——