terephthalic acid bis-[3,7-diacetoxy-2-(3,4-diacetoxy-phenyl)-chroman-5-yl] ester | 1071726-05-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: terephthalic acid bis-[3,7-diacetoxy-2-(3,4-diacetoxy-phenyl)-chroman-5-yl] ester
• CAS: 1071726-05-0
• 化学式: C₅₄H₄₆O₂₂
• 分子量: 1046.95
• InChiKey: IYOQGGZWWKUNLP-AJLWXHIPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.89
• 重原子数：
  76.0
• 可旋转键数：
  14.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  281.46
• 氢给体数：
  0.0
• 氢受体数：
  22.0

反应信息

• 作为产物：
  描述：

  对苯二甲酰氯 、 (+)-3,7,3',4'-tetra-O-acetylcatechin 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 terephthalic acid bis-[3,7-diacetoxy-2-(3,4-diacetoxy-phenyl)-chroman-5-yl] ester
  参考文献：
  名称：

  Studies on the porcine liver esterase-catalyzed hydrolysis of pentaacetyl catechin and epicatechin: Application to the synthesis of novel dimers and trimers

  摘要：

  Porcine liver esterase-catalyzed hydrolysis of 3,5,7,30,40-pentaacetylated catechin was studied. The selectivity of the enzyme in hydrolyzing the acetate moiety is time dependent. Careful control of the duration of hydrolysis makes it possible to isolate the differentially protected catechins. Similar result was also obtained in the epicatechin series. These results are important for elaboration of epicatechin or catechin into different derivatives with defined regiochemistry. These include novel dimeric and trimeric architectures. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.07.058