7'-(2,2-Dimethylpropyl)spiro[1,3-dioxolane-2,3'-bicyclo[4.2.0]oct-1(6)-ene] | 877875-80-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 7'-(2,2-Dimethylpropyl)spiro[1,3-dioxolane-2,3'-bicyclo[4.2.0]oct-1(6)-ene]
• 英文别名: 7'-(2,2-dimethylpropyl)spiro[1,3-dioxolane-2,3'-bicyclo[4.2.0]oct-1(6)-ene]
• CAS: 877875-80-4
• 化学式: C₁₅H₂₄O₂
• 分子量: 236.354
• InChiKey: ZZCVPIVBMHYSKQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  7'-(2,2-Dimethylpropyl)spiro[1,3-dioxolane-2,3'-bicyclo[4.2.0]oct-1(6)-ene] 以 甲苯 为溶剂， 反应 1.0h， 以19%的产率得到(8E)-8-(3,3-dimethylbutylidene)-7-methylidene-1,4-dioxaspiro[4.5]decane
  参考文献：
  名称：

  Accelerated Electrocyclic Ring-Opening of Benzocyclobutenes under the Influence of a β-Silicon Atom

  摘要：

  A significant acceleration effect of a beta-silicon atom was observed on the electrocyclic ring-opening reaction of benzocyclobutene derivatives to form o-quinodimethanes. This acceleration effect could be attributed to an electronic sigma-donating nature of the C(alpha)-Si(beta) bond, associated with alpha-anion driven pericyclic reactions.

  DOI：

  10.1021/ja055505+
• 作为产物：
  描述：

  新戊基碘 在 氨 、 sodium 、 对甲苯磺酸 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 为溶剂， 反应 3.75h， 生成 7'-(2,2-Dimethylpropyl)spiro[1,3-dioxolane-2,3'-bicyclo[4.2.0]oct-1(6)-ene]
  参考文献：
  名称：

  Accelerated Electrocyclic Ring-Opening of Benzocyclobutenes under the Influence of a β-Silicon Atom

  摘要：

  A significant acceleration effect of a beta-silicon atom was observed on the electrocyclic ring-opening reaction of benzocyclobutene derivatives to form o-quinodimethanes. This acceleration effect could be attributed to an electronic sigma-donating nature of the C(alpha)-Si(beta) bond, associated with alpha-anion driven pericyclic reactions.

  DOI：

  10.1021/ja055505+

文献信息

• Accelerated Electrocyclic Ring-Opening of Benzocyclobutenes under the Influence of a β-Silicon Atom
  作者：Yuji Matsuya、Noriko Ohsawa、Hideo Nemoto

  DOI：10.1021/ja055505+

  日期：2006.1.1

  A significant acceleration effect of a beta-silicon atom was observed on the electrocyclic ring-opening reaction of benzocyclobutene derivatives to form o-quinodimethanes. This acceleration effect could be attributed to an electronic sigma-donating nature of the C(alpha)-Si(beta) bond, associated with alpha-anion driven pericyclic reactions.