4-Allyloxy-oct-7-en-2-ynoic acid methyl ester | 259217-41-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 4-Allyloxy-oct-7-en-2-ynoic acid methyl ester
• CAS: 259217-41-9
• 化学式: C₁₂H₁₆O₃
• 分子量: 208.257
• InChiKey: ZWEWXZZDJWIURW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  15.0
• 可旋转键数：
  6.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  35.53
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  4-Allyloxy-oct-7-en-2-ynoic acid methyl ester 在 Grubbs catalyst first generation 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
• 作为产物：
  描述：

  4-戊烯醛 在 正丁基锂 、 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 生成 4-Allyloxy-oct-7-en-2-ynoic acid methyl ester
  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