phenyldimethylsilyldifluorobromopropyne | 745782-15-4

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: phenyldimethylsilyldifluorobromopropyne
• 英文别名: (3-bromo-3,3-difluoroprop-1-ynyl)-dimethyl-phenylsilane
• CAS: 745782-15-4
• 化学式: C₁₁H₁₁BrF₂Si
• 分子量: 289.195
• InChiKey: YWOKDSQJXPJVPU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.13
• 重原子数：
  15.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  phenyldimethylsilyldifluorobromopropyne 在 indium 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 2.0h， 生成 [6-[dimethyl(phenyl)silyl]-3,3,4,4-tetrafluorohexa-1,5-diynyl]-dimethyl-phenylsilane
  参考文献：
  名称：

  Synthesis of a stable indium complex derived from γ-silyl-α,α-difluorobromopropyne: evaluation of experimental parameters

  摘要：

  Fluoroallenes, are potentially useful cyclization precursors because of the synergistic combination of fluorine's unique stereolectronic features and the rich chemistry of allenes. We have optimized the experimental conditions needed for the formation of a difluoropropargylindium complex 2. Sonication, lower reaction temperatures (5 degreesC), and dilute concentration of the starting material (0.15 M) are required to maximize production of this complex. Although the structure of this complex remains unknown, we have found that the nature of the alkyl substituents on the silyl group does not influence the formation of 2 but it does affects the allenyl 5 to propargyl 4 ratio. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2003.12.017
• 作为产物：
  描述：

  二溴二氟甲烷 、 (二甲基苯基甲硅烷基)乙酰亚基 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 9.0h， 以75%的产率得到phenyldimethylsilyldifluorobromopropyne
  参考文献：
  名称：

  Synthesis of a stable indium complex derived from γ-silyl-α,α-difluorobromopropyne: evaluation of experimental parameters

  摘要：

  Fluoroallenes, are potentially useful cyclization precursors because of the synergistic combination of fluorine's unique stereolectronic features and the rich chemistry of allenes. We have optimized the experimental conditions needed for the formation of a difluoropropargylindium complex 2. Sonication, lower reaction temperatures (5 degreesC), and dilute concentration of the starting material (0.15 M) are required to maximize production of this complex. Although the structure of this complex remains unknown, we have found that the nature of the alkyl substituents on the silyl group does not influence the formation of 2 but it does affects the allenyl 5 to propargyl 4 ratio. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2003.12.017