(bis-[3-((tert-butyl)diphenylsilanyloxy)phenyl]phenylmethyl)-4-iodophenylethyne | 1392136-23-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: (bis-[3-((tert-butyl)diphenylsilanyloxy)phenyl]phenylmethyl)-4-iodophenylethyne
• CAS: 1392136-23-0
• 化学式: C₅₉H₅₅IO₂Si₂
• 分子量: 979.16
• InChiKey: HPWQANLBSZERJX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.55
• 重原子数：
  64.0
• 可旋转键数：
  11.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.15
• 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：

  1,4-二碘苯 、 3,3-bis[3-((tert-butyl)diphenylsilanyloxy)phenyl]-3-phenylpropyne 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 二异丙胺 作用下， 以 四氢呋喃 为溶剂， 反应 2.5h， 以73%的产率得到1,4-bis(3,3-bis-[3-((tert-butyl)diphenylsilanyloxy)phenyl]-3-phenylpropynyl)benzene
  参考文献：
  名称：

  Synthesis and Evaluation of Molecular Rotors with Large and Bulky tert-Butyldiphenylsilyloxy-Substituted Trityl Stators

  摘要：

  The search for voluminous stators that may accommodate large rotator units and speed rotational dynamics in the solid state led us to investigate a simple and efficient method for the synthesis of molecular rotors with tert-butyldiphenylsilyl-protected (TBDPS) triphenylmethyl stators. Additionally, solid state characterization of these systems with two-, four-, and six-TBDPS groups provided us with a description of their crystallinity and thermal stability. Among them, molecular rotor 7c with the largest and most symmetric stator resulting from six peripheral silyl groups showed the best tendency to crystallize, and the study of its isotopologue 7c-d(4) by solid state H-2 NMR revealed a 2-fold motion of the 1,4-diethynylphenylene-d(4) rotator in the kHz regime.

  DOI：

  10.1021/jo301078a