3-methylenebicyclo[3.3.1]nonan-7-yl radical | 210161-57-2

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: 3-methylenebicyclo[3.3.1]nonan-7-yl radical
• CAS: 210161-57-2
• 化学式: C₁₀H₁₅
• 分子量: 135.229
• InChiKey: JSFUXNVEWKLPMD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  3-methylenebicyclo[3.3.1]nonan-7-yl radical 生成 1-adamantyl radical 、 (3-noradamantyl)methyl radical
  参考文献：
  名称：

  Radical Rearrangements for the Chemical Vapor Deposition of Diamond

  摘要：

  A combination of chemical trapping and computations is used to determine the activation parameters far the interconversion of the 3-methylenebicyclo[3.3.1]nonan-7-yl (1), (3-noradamantyl)methyl (2), and 1-adamantyl (3) radicals. The three radicals model proposed intermediate surface radical structures in the chemical vapor deposition (CVD) of diamond on its 2 x 1 reconstructed [100] surface. The study finds that relatively low-level calculations previously applied to the problem of diamond growth are reliable, at least qualitatively.

  DOI：

  10.1021/jo971814+
• 作为产物：
  描述：

  金刚烷 在 sodium hydroxide 、 lithium aluminium tetrahydride 、 草酰氯 、 aluminum bromide 、 thiopyridine N-oxide sodium salt 、 溴 、 三溴化硼 作用下， 以 四氢呋喃 、 1,4-二氧六环 为溶剂， 反应 10.92h， 生成 3-methylenebicyclo[3.3.1]nonan-7-yl radical
  参考文献：
  名称：

  Radical Rearrangements for the Chemical Vapor Deposition of Diamond

  摘要：

  A combination of chemical trapping and computations is used to determine the activation parameters far the interconversion of the 3-methylenebicyclo[3.3.1]nonan-7-yl (1), (3-noradamantyl)methyl (2), and 1-adamantyl (3) radicals. The three radicals model proposed intermediate surface radical structures in the chemical vapor deposition (CVD) of diamond on its 2 x 1 reconstructed [100] surface. The study finds that relatively low-level calculations previously applied to the problem of diamond growth are reliable, at least qualitatively.

  DOI：

  10.1021/jo971814+

文献信息

• Radical Rearrangements for the Chemical Vapor Deposition of Diamond
  作者：Andreas M. Mueller、Peter Chen

  DOI：10.1021/jo971814+

  日期：1998.7.1

  A combination of chemical trapping and computations is used to determine the activation parameters far the interconversion of the 3-methylenebicyclo[3.3.1]nonan-7-yl (1), (3-noradamantyl)methyl (2), and 1-adamantyl (3) radicals. The three radicals model proposed intermediate surface radical structures in the chemical vapor deposition (CVD) of diamond on its 2 x 1 reconstructed [100] surface. The study finds that relatively low-level calculations previously applied to the problem of diamond growth are reliable, at least qualitatively.