4-Hydroxy-bicyclo<2.2.2>octan-1-carbonitril | 72948-86-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-Hydroxy-bicyclo<2.2.2>octan-1-carbonitril
• 英文别名: 4-Hydroxybicyclo[2.2.2]octane-1-carbonitrile
• CAS: 72948-86-8
• 化学式: C₉H₁₃NO
• 分子量: 151.208
• InChiKey: DAPABNALFYHCII-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  44
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-Hydroxy-bicyclo<2.2.2>octan-1-carbonitril 在 吡啶 、 三乙胺 作用下， 生成 4-N-Benzyloxycarbonylaminomethyl-bicyclo<2.2.2>oct-1-yl-p-nitrobenzolsulfonat
  参考文献：
  名称：

  模具合成冯4-取代双环[2.2.2] oct-1- yl - p-硝基苯并磺酰基

  摘要：

  4-取代双环[2.2.2]辛-1-基-对硝基苯磺酸盐的合成

  DOI：

  10.1002/hlca.19790620830
• 作为产物：
  描述：

  4-羟基二环[2.2.2]辛烷-1-羧酸乙酯 在 镍 吡啶 、 一水合肼 、 对硝基苯磺酰氯 作用下， 以 乙醇 为溶剂， 反应 2.0h， 生成 4-Hydroxy-bicyclo<2.2.2>octan-1-carbonitril
  参考文献：
  名称：

  模具合成冯4-取代双环[2.2.2] oct-1- yl - p-硝基苯并磺酰基

  摘要：

  4-取代双环[2.2.2]辛-1-基-对硝基苯磺酸盐的合成

  DOI：

  10.1002/hlca.19790620830

文献信息

• WO2006/128184
  申请人：——

  公开号：——

  公开（公告）日：——
• GROB C. A.; RICH R., HELV. CHIM. ACTA, 1979, 62, NO 8, 2802-2816
  作者：GROB C. A.、 RICH R.

  DOI：——

  日期：——
• Heterobicyclic metalloprotease inhibitors
  申请人：Steeneck Christoph

  公开号：US20070155738A1

  公开（公告）日：2007-07-05

  The present invention relates generally to amide group containing pharmaceutical agents, and in particular, to amide containing heterobicyclic metalloprotease inhibitor compounds. More particularly, the present invention provides a new class of heterobicyclic MMP-13 inhibiting and MMP-3 inhibiting compounds, that exhibit an increased potency in relation to currently known MMP-13 and MMP-3 inhibitors.
• Heterobicyclic Metalloprotease Inhibitors
  申请人：STEENECK Christoph

  公开号：US20090312312A1

  公开（公告）日：2009-12-17

  The present invention relates generally to amide group containing pharmaceutical agents, and in particular, to amide containing heterobicyclic metalloprotease inhibitor compounds. More particularly, the present invention provides a new class of heterobicyclic MMP-13 inhibiting and MMP-3 inhibiting compounds, that exhibit an increased potency in relation to currently known MMP-13 and MMP-3 inhibitors.
• HETEROBICYCLIC METALLOPROTEASE INHIBITORS
  申请人：Steeneck Christoph

  公开号：US20120015920A1

  公开（公告）日：2012-01-19

  The present invention relates generally to amide group containing pharmaceutical agents, and in particular, to amide containing heterobicyclic metalloprotease inhibitor compounds. More particularly, the present invention provides a new class of heterobicyclic MMP-13 inhibiting and MMP-3 inhibiting compounds, that exhibit an increased potency in relation to currently known MMP-13 and MMP-3 inhibitors.