8-(3-phenylpropyl)-1,4-dioxaspiro[4.5]dec-7-ene | 1580470-98-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 8-(3-phenylpropyl)-1,4-dioxaspiro[4.5]dec-7-ene
• CAS: 1580470-98-9
• 化学式: C₁₇H₂₂O₂
• 分子量: 258.36
• InChiKey: NGNFHPPJBWNYTO-UHFFFAOYSA-N

物化性质

• 沸点：
  382.8±42.0 °C(predicted)
• 密度：
  1.08±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.86
• 重原子数：
  19.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  18.46
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  1-溴-3-苯基丙烷 、 potassium trifluoro(1,4-dioxaspiro[4.5]dec-7-en-8-yl)borate 在 环戊基甲醚 、 bathophenanthroline 、 NiBr₂*glyme 、 sodium hexamethyldisilazane 作用下， 以 叔丁醇 为溶剂， 以80%的产率得到8-(3-phenylpropyl)-1,4-dioxaspiro[4.5]dec-7-ene
  参考文献：
  名称：

  Stereospecific Ni-Catalyzed Cross-Coupling of Potassium Alkenyltrifluoroborates with Alkyl Halides

  摘要：

  A general method for the alkenylation of alkyl electrophiles using nearly stoichiometric amounts of the air- and moisture-stable potassium organotrifluoroborates has been developed. Various functional groups were tolerated on both the nucleophilic and electrophilic partner. Reactions of highly substituted E- and Z-alkenyltrifluoroborates, as well as vinyl- and propenyltrifluoroborates, were successful, and no loss of stereochemistry or regiochemistry was observed.

  DOI：

  10.1021/ol500408a