5,5'-dioctyl-3,3'-bisisoxazole | 1446102-59-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5,5'-dioctyl-3,3'-bisisoxazole
• 英文别名: 5-Octyl-3-(5-octyl-1,2-oxazol-3-yl)-1,2-oxazole；5-octyl-3-(5-octyl-1,2-oxazol-3-yl)-1,2-oxazole
• CAS: 1446102-59-5
• 化学式: C₂₂H₃₆N₂O₂
• 分子量: 360.54
• InChiKey: CZAPRMDJRVMMGV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.3
• 重原子数：
  26
• 可旋转键数：
  15
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  52.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-癸炔 、 二氯乙二肟 在 potassium hydrogencarbonate 作用下， 以 水 、 叔丁醇 为溶剂， 反应 3.25h， 以66%的产率得到5,5'-dioctyl-3,3'-bisisoxazole
  参考文献：
  名称：

  A Click Chemistry Approach to 5,5′-Disubstituted-3,3′-Bisisoxazoles from Dichloroglyoxime and Alkynes: Luminescent Organometallic Iridium and Rhenium Bisisoxazole Complexes

  摘要：

  5,5'-Disubstituted-3,3'-bisisoxazoles are prepared in one step by the dropwise addition of aqueous potassium hydrogen carbonate to a mixture of dichloroglyoxime and terminal alkynes. The reaction exhibits a striking preference for the 5,5'-disubstituted 3,3'-bisisoxazole over the 4,5'-regioisomer. Organometallic iridium and rhenium bisisoxazole complexes are luminescent with emission wavelengths varying depending upon the identity of the 5,5'-substituent (phenyl, butyl).

  DOI：

  10.1021/jo4008755

文献信息

• A Click Chemistry Approach to 5,5′-Disubstituted-3,3′-Bisisoxazoles from Dichloroglyoxime and Alkynes: Luminescent Organometallic Iridium and Rhenium Bisisoxazole Complexes
  作者：Phillip L. van der Peet、Timothy U. Connell、Christian Gunawan、Jonathan M. White、Paul S. Donnelly、Spencer J. Williams

  DOI：10.1021/jo4008755

  日期：2013.7.19

  5,5'-Disubstituted-3,3'-bisisoxazoles are prepared in one step by the dropwise addition of aqueous potassium hydrogen carbonate to a mixture of dichloroglyoxime and terminal alkynes. The reaction exhibits a striking preference for the 5,5'-disubstituted 3,3'-bisisoxazole over the 4,5'-regioisomer. Organometallic iridium and rhenium bisisoxazole complexes are luminescent with emission wavelengths varying depending upon the identity of the 5,5'-substituent (phenyl, butyl).