2-(benzyloxy)oct-7-enenitrile | 1254982-26-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(benzyloxy)oct-7-enenitrile
• CAS: 1254982-26-7
• 化学式: C₁₅H₁₉NO
• 分子量: 229.322
• InChiKey: JHSJSBPSMHNQOD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.84
• 重原子数：
  17.0
• 可旋转键数：
  8.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  33.02
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  2-(benzyloxy)oct-7-enenitrile 在 臭氧 、 三苯基膦 作用下， 以 二氯甲烷 为溶剂， 以78%的产率得到2-(benzyloxy)-7-oxoheptanenitrile
  参考文献：
  名称：

  Stereoselective Synthesis of Spirooxindole Amides through Nitrile Hydrozirconation

  摘要：

  Spirooxindole amides can be prepared by the intramolecular addition of functionalized indoles into acylimines that are accessed from nitriles by hydrozirconation and acylation. The stereochemical outcome at the quaternary center was controlled by the steric bulk of the substituent at the 2-position of the indole unit. The products are well-suited for diversification to prepare libraries.

  DOI：

  10.1021/ol102246d
• 作为产物：
  描述：

  1-烯庚醛 、 三甲基氰硅烷 、 苄氧基三甲基硅烷 在 bismuth(III) bromide 作用下， 以 二氯甲烷 为溶剂， 以81%的产率得到2-(benzyloxy)oct-7-enenitrile
  参考文献：
  名称：

  Construction of a Spirooxindole Amide Library through Nitrile Hydrozirconation-Acylation-Cyclization Cascade

  摘要：

  A library of spirooxindoles containing varied elements of structural and stereochemical diversity has been constructed via a three step, one pot nitrile hydrozirconation-acylation-cyclization reaction sequence from common acyclic indole intermediates. The resulting library was evaluated for novelty through comparison with MLSMR and Maybridge compound collections.

  DOI：

  10.1021/co4000387