ethyl bicyclo[1.1.1]pentane-1-carboxylate | 22287-27-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: ethyl bicyclo[1.1.1]pentane-1-carboxylate
• 英文别名: Bicyclo <1.1.1> pentan-1-carbonsaeureethylester；Ethyl bicyclo[1.1.1]pentane-1-carboxylate
• CAS: 22287-27-0
• 化学式: C₈H₁₂O₂
• 分子量: 140.182
• InChiKey: JDUFZRQGGCIMOQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  ethyl 3-(chlorocarbonyl)bicyclo[1.1.1]pentane-1-carboxylate 在 4-二甲氨基吡啶 、 2-mercaptopyridine-1-oxide sodium salt 作用下， 以 氯仿 为溶剂， 反应 2.5h， 以36%的产率得到ethyl bicyclo[1.1.1]pentane-1-carboxylate
  参考文献：
  名称：

  [EN] METHOD OF PREPARING SUBSTITUTED BICYCLO[1 1 1]PENTANES
  [FR] PROCÉDÉ DE PRÉPARATION DE BICYCLO[1.1.1]PENTANES SUBSTITUÉS

  摘要：

  该发明涉及一种新的高效制备分子类的方法，即通过将[1.1.1]丙烷与多种试剂在辐射和/或自由基引发剂存在下反应，制备在1和3位置不对称取代的双环[1.1.1]戊烷及其衍生物的过程。这些双环[1.1.1]戊烷可作为不对称1,3-二取代双环[1.1.1]戊烷衍生物和含有这些结构的各种生理活性物质或材料的中间体。

  公开号：

  WO2017157932A1

文献信息

• Method of preparing substituted bicyclo[1.1.1] pentanes
  申请人：SPIROCHEM AG

  公开号：US10513483B2

  公开（公告）日：2019-12-24

  A process for the preparation of a class of molecules, namely bicyclo[1.1.1]pentanes and derivatives thereof by reaction of [1.1.1]propellane with a variety of reagents under irradiation and/or in the presence of radical initiators to obtain bicyclo[1.1.1]pentanes asymmetrically substituted at position 1 and 3, which are useful as intermediates for the preparation of asymmetrically 1,3-disubstituted bicyclo[1.1.1]pentane derivatives and various physiologically active substances or materials containing these structures.

  一种制备双环[1.1.1]戊烷及其衍生物的工艺，在辐照下和/或在自由基引发剂存在下，[1.1.1]丙烷与多种试剂反应，得到在位置 1 和位置 3 被不对称取代的双环[1.1.1]戊烷。1]pentanes asymmetryally substituted at position 1 and 3, which are useful as intermediates for the preparation of asymmetryically 1,3-disubstituted bicyclo[1.1.1]pentane derivatives and various physiologically active substances or materials containing these structures.
• METHOD OF PREPARING SUBSTITUTED BICYCLO[1.1.1]PENTANES
  申请人：SpiroChem AG

  公开号：EP3429986B1

  公开（公告）日：2022-01-05
• METHOD OF PREPARING SUBSTITUTED BICYCLO[1 1 1]PENTANES
  申请人：Spirochem AG

  公开号：EP3429986A1

  公开（公告）日：2019-01-23
• METHOD OF PREPARING SUBSTITUTED BICYCLO[1.1.1] PENTANES
  申请人：SPIROCHM AG

  公开号：US20190092714A1

  公开（公告）日：2019-03-28

  A process for the preparation of a class of molecules, namely bicyclo[1.1.1]pentanes and derivatives thereof by reaction of [1.1.1]propellane with a variety of reagents under irradiation and/or in the presence of radical initiators to obtain bicyclo[1.1.1]pentanes asymmetrically substituted at position 1 and 3, which are useful as intermediates for the preparation of asymmetrically 1,3-disubstituted bicyclo[1.1.1]pentane derivatives and various physiologically active substances or materials containing these structures.
• [EN] METHOD OF PREPARING SUBSTITUTED BICYCLO[1 1 1]PENTANES<br/>[FR] PROCÉDÉ DE PRÉPARATION DE BICYCLO[1.1.1]PENTANES SUBSTITUÉS
  申请人：SPIROCHEM AG

  公开号：WO2017157932A1

  公开（公告）日：2017-09-21

  The invention relates to a new and efficient process for the preparation of a class of molecules, namely bicyclo[1.1.1]pentanes and derivatives thereof by reaction of [1.1.1]propellane with a variety of reagents under irradiation and/or in the presence of radical initiators to obtain bicyclo[1.1.1]pentanes asymmetrically substituted at position 1 and 3, which are useful as intermediates for the preparation of asymmetrically 1,3-disubstituted bicyclo[1.1.1]pentane derivatives and various physiologically active substances or materials containing these structures.

  该发明涉及一种新的高效制备分子类的方法，即通过将[1.1.1]丙烷与多种试剂在辐射和/或自由基引发剂存在下反应，制备在1和3位置不对称取代的双环[1.1.1]戊烷及其衍生物的过程。这些双环[1.1.1]戊烷可作为不对称1,3-二取代双环[1.1.1]戊烷衍生物和含有这些结构的各种生理活性物质或材料的中间体。