7-chloro-3,3-bis-hydroxymethyl-chroman-4-one | 1107609-41-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 7-chloro-3,3-bis-hydroxymethyl-chroman-4-one
• 英文别名: 3,3-bis(hydroxymethyl)-6,7-dimethoxy-2H-chromen-4-one
• CAS: 1107609-41-5
• 化学式: C₁₃H₁₆O₆
• 分子量: 268.266
• InChiKey: ZNJWKMQXLYKVCO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  19
• 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：
  85.2
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  7-chloro-3,3-bis-hydroxymethyl-chroman-4-one 、 叔丁基二苯基氯硅烷 在 咪唑 、 4-二甲氨基吡啶 作用下， 以 二氯甲烷 为溶剂， 生成 3-(tert-butyl-diphenyl-silanyloxymethyl)-3-hydroxymethyl-6,7-dimethoxy-chroman-4-one
  参考文献：
  名称：

  Enantioselective enzymatic desymmetrization of prochiral 1,3-diols and enzymatic resolution of monoprotected 1,3-diols based on α-tetralone and related multifunctional scaffolds

  摘要：

  Novel multifunctional chemotypes based on alpha-tetralone, alpha-indarione, and chromanone have been synthesized by a chemo-enzymatic approach by applying an enzymatic irreversible transesterification strategy. The scaffolds synthesized can be further elaborated with subsequent enzymatic as well as chemical transformations for the generation of new sets of structurally related organic molecules. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2008.10.024
• 作为产物：
  描述：

  聚合甲醛 、 6,7-二甲氧基-2,3-二氢色烯-4-酮 在 水 、 potassium carbonate 作用下， 以 甲醇 为溶剂， 生成 7-chloro-3,3-bis-hydroxymethyl-chroman-4-one
  参考文献：
  名称：

  Enantioselective enzymatic desymmetrization of prochiral 1,3-diols and enzymatic resolution of monoprotected 1,3-diols based on α-tetralone and related multifunctional scaffolds

  摘要：

  Novel multifunctional chemotypes based on alpha-tetralone, alpha-indarione, and chromanone have been synthesized by a chemo-enzymatic approach by applying an enzymatic irreversible transesterification strategy. The scaffolds synthesized can be further elaborated with subsequent enzymatic as well as chemical transformations for the generation of new sets of structurally related organic molecules. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2008.10.024

文献信息

• Enantioselective enzymatic desymmetrization of prochiral 1,3-diols and enzymatic resolution of monoprotected 1,3-diols based on α-tetralone and related multifunctional scaffolds
  作者：Tridib Mahapatra、Tapas Das、Samik Nanda

  DOI：10.1016/j.tetasy.2008.10.024

  日期：2008.11

  Novel multifunctional chemotypes based on alpha-tetralone, alpha-indarione, and chromanone have been synthesized by a chemo-enzymatic approach by applying an enzymatic irreversible transesterification strategy. The scaffolds synthesized can be further elaborated with subsequent enzymatic as well as chemical transformations for the generation of new sets of structurally related organic molecules. (C) 2008 Elsevier Ltd. All rights reserved.