3-(tert-butyl-diphenyl-silanyloxymethyl)-3-hydroxymethyl-7-chloro-chroman-4-one | 1107609-64-2

• 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: 3-(tert-butyl-diphenyl-silanyloxymethyl)-3-hydroxymethyl-7-chloro-chroman-4-one
• CAS: 1107609-64-2
• 化学式: C₂₇H₂₉ClO₄Si
• 分子量: 481.063
• InChiKey: YUAMRLVHXWKBSK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.47
• 重原子数：
  33.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  55.76
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  乙酸乙烯酯 、 3-(tert-butyl-diphenyl-silanyloxymethyl)-3-hydroxymethyl-7-chloro-chroman-4-one 在 CAL-B immobilized on acrylic resin 作用下， 以 异丙醚 为溶剂， 生成 3-(tert-butyl-diphenyl-silanyloxymethyl)-3-hydroxymethyl-7-chloro-chroman-4-one 、 3-(tert-butyl-diphenyl-silanyloxymethyl)-3-hydroxymethyl-7-chloro-chroman-4-one 、 acetic acid (R)-3-(tert-butyl-diphenyl-silanyloxymethyl)-7-chloro-4-oxo-chroman-3-ylmethyl ester 、 acetic acid (S)-3-(tert-butyl-diphenyl-silanyloxymethyl)-7-chloro-4-oxo-chroman-3-ylmethyl ester
  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：

  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-7-chloro-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