endo-tricyclo<5,2,1,0^2,6>-4,8-dichloroformyldeca-3,8-diene | 68750-39-0

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 酰卤
• 英文名称: endo-tricyclo<5,2,1,0^2,6>-4,8-dichloroformyldeca-3,8-diene
• 英文别名: endo-tricyclo[5,2,1,0^2,6]-4,8-dichloroformyldeca-3,8-diene
• CAS: 68750-39-0
• 化学式: C₁₂H₁₀Cl₂O₂
• 分子量: 257.116
• InChiKey: PJNZBJXCWRZQHA-HKVUECMASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.66
• 重原子数：
  16.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  34.14
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  endo-tricyclo<5,2,1,0^2,6>-4,8-dichloroformyldeca-3,8-diene 生成 Deslongchamps's diketone
  参考文献：
  名称：

  Synthesis of 2,3-Dihydrotriquinacen-2-one

  摘要：

  报道了从Thiele酸合成目标化合物的方法。

  DOI：

  10.1139/v71-086
• 作为产物：
  描述：

  thiele acid 在 吡啶 、 氯化亚砜 作用下， 以 乙醚 为溶剂， 反应 4.0h， 以46%的产率得到endo-tricyclo<5,2,1,0^2,6>-4,8-dichloroformyldeca-3,8-diene
  参考文献：
  名称：

  取代的环戊二烯基化合物：I.甲基环戊二烯的甲酰化以及氰基，甲基，甲酰基和二甲基酰胺基环戊二烯的一些（（I）和铑（I）衍生物的合成和NMR研究

  摘要：

  甲基环戊二烯酸钾与甲磺酸甲酯的反应产生摩尔比为1.3：1.0的1-甲酰基-2-甲基环戊二烯和1-甲酰基-3-甲基环戊二烯的盐。在环境温度下，每种异构体均包含两个构象体。通过2- D 1 H NMR（COSY和NOESY）确认产物的身份和关系。锡尔酸（内-三环[5,2,1,0 2,6 ] -4,8-​​二羧酸-癸-3,8-二烯）被转化为单体二甲酰胺和腈的al盐。通过（盐与克莱默化合物{（C 2 H 4）2，RhCl} 2的反应高产率地制备双（乙烯）-铑（I）衍生物。。比较了烯烃的旋转势垒（ΔG ＃），并讨论了环滑的NMR证据。混合化合物（CO）（C 2 H ^ 4）的Rh（η 5 -C 5 H ^ 4 CHO）示出了对于任何简单铑最低报烯烃旋转屏障（I）的Cp -monocyclic系统。

  DOI：

  10.1016/0022-328x(92)83255-g

文献信息

• The return of photoelastic stress measurements: utilizing birefringence to monitor damage and repair in healable materials
  作者：Erin B. Murphy

  DOI：10.1039/c0jm02308f

  日期：——

  Photoelastic stress measurements have proven quite useful in the analysis of residual and induced stress within transparent polymer materials. We show the utility of polymer birefringence as an avenue for assessing location and type of damage, as well as the extent of repair, in healable polymers based on the thermally reversible Diels–Alder cycloaddition reaction of dicyclopentadiene. These healable polymers were subjected to compressive loading in a controlled fashion to create an isochromatic–stress calibration curve. The correlation between birefringence and stress was then utilized to analyze samples visibly deformed in compressive loading; following a thermal healing treatment, these samples not only regained their initial mechanical properties and recovered their initial specimen dimensions, but also showed a complete release of the residual stress induced during the damage event. The photoelastic properties of these and similar materials can be utilized as a non-contact and non-destructive method for real-time analysis of damage and repair in healable materials.

  事实证明，光弹性应力测量在分析透明聚合物材料内部的残余应力和诱导应力方面非常有用。我们在双环戊二烯的热可逆 Diels-Alder 环加成反应的基础上，展示了聚合物双折射作为评估损伤位置和类型以及修复程度的一种途径的实用性。对这些可愈合聚合物进行受控压缩加载，以创建等色应力校准曲线。然后利用双折射与应力之间的相关性分析在压缩加载中发生明显变形的样品；经过热愈合处理后，这些样品不仅恢复了其初始机械性能并恢复了其初始试样尺寸，而且还显示出在损坏过程中引起的残余应力的完全释放。这些材料和类似材料的光弹性特性可作为一种非接触、非破坏性方法，用于实时分析可愈合材料的损伤和修复情况。
• Catalysis via Homolytic Substitutions with C−O and Ti−O Bonds: Oxidative Additions and Reductive Eliminations in Single Electron Steps
  作者：Andreas Gansäuer、André Fleckhaus、Manuel Alejandre Lafont、Andreas Okkel、Konstantinos Kotsis、Anakuthil Anoop、Frank Neese

  DOI：10.1021/ja907817y

  日期：2009.11.25

  In a combined theoretical and experimental study, an efficient catalytic reaction featuring epoxide opening and tetrahydrofuran formation through homolytic substitution reactions at C-O and Ti-O bonds was devised. The performance of these two key steps of the catalytic cycle was studied and could be adjusted by modifying the electronic properties of the catalysts through introduction of electron-donating or -withdrawing substituents to the titanocene catalysts. By regarding both steps as single electron versions of oxidative addition and reductive elimination, a mechanism-based platform for the design of catalysts and reagents-for electron transfer reactions evolved that opens broad perspectives for further investigations.
• Deslongchamps,P. et al., Canadian Journal of Chemistry, 1978, vol. 56, p. 1687 - 1704
  作者：Deslongchamps,P. et al.

  DOI：——

  日期：——