4-[2-[3,5-Bis(pent-1-ynyl)phenyl]ethynyl]-2,5-bis[4-[tert-butyl(dimethyl)silyl]oxybut-1-ynyl]benzaldehyde | 618119-44-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-[2-[3,5-Bis(pent-1-ynyl)phenyl]ethynyl]-2,5-bis[4-[tert-butyl(dimethyl)silyl]oxybut-1-ynyl]benzaldehyde
• CAS: 618119-44-1
• 化学式: C₄₅H₅₈O₃Si₂
• 分子量: 703.125
• InChiKey: WGMNTZCBJKZWFU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.73
• 重原子数：
  50
• 可旋转键数：
  17
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-[2-[3,5-Bis(pent-1-ynyl)phenyl]ethynyl]-2,5-bis[4-[tert-butyl(dimethyl)silyl]oxybut-1-ynyl]benzaldehyde 在 吡啶 、 三甲基氯硅烷 作用下， 以 二氯甲烷 为溶剂， 反应 19.58h， 生成 4-[2-[2-[3,5-Bis(pent-1-ynyl)phenyl]ethynyl]-5-(5,5-dimethyl-1,3-dioxan-2-yl)-4-[4-(4-nitrophenoxy)carbonyloxybut-1-ynyl]phenyl]but-3-ynyl (4-nitrophenyl) carbonate
  参考文献：
  名称：

  Synthesis of Anthropomorphic Molecules:  The NanoPutians

  摘要：

  Described here are the synthetic details en route to an array of 2-nm-tall anthropomorphic molecules in monomeric, dimeric, and polymeric form. These anthropomorphic figures are called, as a class, NanoPutians. Using tools of chemical synthesis, the ultimate in designed miniaturization can be attained while preparing the most widely recognized structures: those that resemble humans.

  DOI：

  10.1021/jo0349227
• 作为产物：
  描述：

  4-(叔丁基二甲基硅杂氧基)-1-丁炔 在 bis-triphenylphosphine-palladium(II) chloride copper(l) iodide 、 正丁基锂 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 48.5h， 生成 4-[2-[3,5-Bis(pent-1-ynyl)phenyl]ethynyl]-2,5-bis[4-[tert-butyl(dimethyl)silyl]oxybut-1-ynyl]benzaldehyde
  参考文献：
  名称：

  Synthesis of Anthropomorphic Molecules:  The NanoPutians

  摘要：

  Described here are the synthetic details en route to an array of 2-nm-tall anthropomorphic molecules in monomeric, dimeric, and polymeric form. These anthropomorphic figures are called, as a class, NanoPutians. Using tools of chemical synthesis, the ultimate in designed miniaturization can be attained while preparing the most widely recognized structures: those that resemble humans.

  DOI：

  10.1021/jo0349227

文献信息

• Synthesis of Anthropomorphic Molecules:  The NanoPutians
  作者：Stephanie H. Chanteau、James M. Tour

  DOI：10.1021/jo0349227

  日期：2003.11.1

  Described here are the synthetic details en route to an array of 2-nm-tall anthropomorphic molecules in monomeric, dimeric, and polymeric form. These anthropomorphic figures are called, as a class, NanoPutians. Using tools of chemical synthesis, the ultimate in designed miniaturization can be attained while preparing the most widely recognized structures: those that resemble humans.