Methyl 5-oxo-2-(2,3,4,7-tetrahydrooxepin-2-yl)cyclopentene-1-carboxylate | 259217-43-1

• 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: Methyl 5-oxo-2-(2,3,4,7-tetrahydrooxepin-2-yl)cyclopentene-1-carboxylate
• CAS: 259217-43-1
• 化学式: C₁₃H₁₆O₄
• 分子量: 236.268
• InChiKey: LPYPDLUSZYBELU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Methyl 5-oxo-2-(2,3,4,7-tetrahydrooxepin-2-yl)cyclopentene-1-carboxylate 在 4-二甲氨基吡啶 、 4-甲基苯磺酸吡啶 、 三乙胺 、 zinc(II) iodide 作用下， 以 四氢呋喃 、 正己烷 、 二氯甲烷 、 水 为溶剂， 生成
  参考文献：
  名称：

  Synthesis of Crossed [2 + 2] Photocycloadducts:  A Novel Approach to the Synthesis of Bridged Bicyclic Alkenes

  摘要：

  [GRAPHICS]A solution to the synthesis of "crossed" intramolecular [2 + 2] photocycloadducts has been achieved. Through the use of a temporary heteroatom linker, the equivalent of a crossed photocycloadduct can be accessed at the expensive of the normal "straight" adduct, Selectivity as high as 94:6 for the "crossed" adduct has been observed.

  DOI：

  10.1021/ol991272d
• 作为产物：
  描述：

  在 Grubbs catalyst first generation 正丁基锂 、 ZrCl₂-OEt₂ 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 Methyl 5-oxo-2-(2,3,4,7-tetrahydrooxepin-2-yl)cyclopentene-1-carboxylate
  参考文献：
  名称：

  Synthesis of Crossed [2 + 2] Photocycloadducts:  A Novel Approach to the Synthesis of Bridged Bicyclic Alkenes

  摘要：

  [GRAPHICS]A solution to the synthesis of "crossed" intramolecular [2 + 2] photocycloadducts has been achieved. Through the use of a temporary heteroatom linker, the equivalent of a crossed photocycloadduct can be accessed at the expensive of the normal "straight" adduct, Selectivity as high as 94:6 for the "crossed" adduct has been observed.

  DOI：

  10.1021/ol991272d

文献信息

• Synthesis of Crossed [2 + 2] Photocycloadducts:  A Novel Approach to the Synthesis of Bridged Bicyclic Alkenes
  作者：Michael T. Crimmins、E. Bryan Hauser

  DOI：10.1021/ol991272d

  日期：2000.2.1

  [GRAPHICS]A solution to the synthesis of "crossed" intramolecular [2 + 2] photocycloadducts has been achieved. Through the use of a temporary heteroatom linker, the equivalent of a crossed photocycloadduct can be accessed at the expensive of the normal "straight" adduct, Selectivity as high as 94:6 for the "crossed" adduct has been observed.