1,5-bis(trimethylsilyl)(313C)penta-1,4-diyn-3-ol | 156370-64-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,5-bis(trimethylsilyl)(313C)penta-1,4-diyn-3-ol
• CAS: 156370-64-8
• 化学式: C₁₁H₂₀OSi₂
• 分子量: 225.439
• InChiKey: CVMUTDAOOAZSQA-KHWBWMQUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.11
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1,5-bis(trimethylsilyl)(313C)penta-1,4-diyn-3-ol 在 barium permanganate 作用下， 以 二氯甲烷 、 溶剂黄146 为溶剂， 生成 1,5-bis(trimethylsilyl)-3-(13)C-penta-1,4-yne-3-p-tosyl hydrazone
  参考文献：
  名称：

  Synthesis and Characterization of Diethynylmethanobuckminsterfullerene, a Building Block for Macrocyclic and Polymeric Carbon Allotropes

  摘要：

  Diethynylmethanobuckminsterfullerene (1a and C-13-labeled 1b) has been prepared by reaction of the lithium salt of 1,5-bis(trimethylsilyl)-1,4-pentadiyn-3-one (p-toluenesulfonyl)hydrazone (5a/b) with C-60 followed by desilylation and characterized by NMR, IR, UV-vis, and CI-TQMS spectroscopies.

  DOI：

  10.1021/jo00090a006
• 作为产物：
  描述：

  lithium trimethylsilylacetylenide 、 benzyl [13C]formate 以87%的产率得到1,5-bis(trimethylsilyl)(313C)penta-1,4-diyn-3-ol
  参考文献：
  名称：

  Synthesis and Characterization of Diethynylmethanobuckminsterfullerene, a Building Block for Macrocyclic and Polymeric Carbon Allotropes

  摘要：

  Diethynylmethanobuckminsterfullerene (1a and C-13-labeled 1b) has been prepared by reaction of the lithium salt of 1,5-bis(trimethylsilyl)-1,4-pentadiyn-3-one (p-toluenesulfonyl)hydrazone (5a/b) with C-60 followed by desilylation and characterized by NMR, IR, UV-vis, and CI-TQMS spectroscopies.

  DOI：

  10.1021/jo00090a006

文献信息

• Synthesis and Characterization of Diethynylmethanobuckminsterfullerene, a Building Block for Macrocyclic and Polymeric Carbon Allotropes
  作者：Yi-Zhong An、Yves Rubin、Christophe Schaller、Stephen W. McElvany

  DOI：10.1021/jo00090a006

  日期：1994.6

  Diethynylmethanobuckminsterfullerene (1a and C-13-labeled 1b) has been prepared by reaction of the lithium salt of 1,5-bis(trimethylsilyl)-1,4-pentadiyn-3-one (p-toluenesulfonyl)hydrazone (5a/b) with C-60 followed by desilylation and characterized by NMR, IR, UV-vis, and CI-TQMS spectroscopies.