4-[6-[2-[6-[2-[6-Iodo-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridin-2-yl]ethynyl]-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridin-2-yl]ethynyl]-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridin-2-yl]-2-methylbut-3-yn-2-ol | 1374551-77-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-[6-[2-[6-[2-[6-Iodo-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridin-2-yl]ethynyl]-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridin-2-yl]ethynyl]-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridin-2-yl]-2-methylbut-3-yn-2-ol
• CAS: 1374551-77-5
• 化学式: C₄₅H₅₈IN₃O₁₃
• 分子量: 975.872
• InChiKey: KTDMWAUSQJUHOV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  62
• 可旋转键数：
  36
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  170
• 氢给体数：
  1
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  4-[6-[2-[6-[2-[6-Iodo-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridin-2-yl]ethynyl]-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridin-2-yl]ethynyl]-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridin-2-yl]-2-methylbut-3-yn-2-ol 在 copper(l) iodide 、 二(三叔丁基膦)钯 、 二异丙胺 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 10.5h， 生成 Tert-butyl-[2-[6-[2-[6-[2-[6-ethynyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridin-2-yl]ethynyl]-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridin-2-yl]ethynyl]-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridin-2-yl]ethynyl]-dimethylsilane
  参考文献：
  名称：

  Concentration- and Time-Dependent Eccentric Changes in Circular Dichroism of Saccharide-Linked Ethynylpyridine Oligomer with Copper(II) Ions

  摘要：

  We studied the preparation and circular dichroism (CD) behavior of 2,6-pyridylene ethynylene octameric oligomer linked to a beta-D-glucoside moiety with a C20-alkylene chain. The addition of Cu(OTf)(2) salt led to a remarkable enhancement of the first CD band of the oligomer, and an unexpected concentration and time dependency were observed. For example, when 1.0 X 10(-3) M of Cu(OTf)(2) was added to a 1,2-dichloroethane solution of the oligomer (5.0 X 10(-4) M, unit concentration), the CD band appeared in the positive at first and gradually inverted into the negative with time.

  DOI：

  10.1021/jo300735j
• 作为产物：
  描述：

  2,6-Bis[2-[6-iodo-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridin-2-yl]ethynyl]-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine 、 2-甲基-3-丁炔-2-醇 在 copper(l) iodide 、 四(三苯基膦)钯 、 二异丙胺 作用下， 以 四氢呋喃 为溶剂， 反应 6.0h， 以29%的产率得到4-[6-[2-[6-[2-[6-Iodo-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridin-2-yl]ethynyl]-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridin-2-yl]ethynyl]-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridin-2-yl]-2-methylbut-3-yn-2-ol
  参考文献：
  名称：

  Concentration- and Time-Dependent Eccentric Changes in Circular Dichroism of Saccharide-Linked Ethynylpyridine Oligomer with Copper(II) Ions

  摘要：

  We studied the preparation and circular dichroism (CD) behavior of 2,6-pyridylene ethynylene octameric oligomer linked to a beta-D-glucoside moiety with a C20-alkylene chain. The addition of Cu(OTf)(2) salt led to a remarkable enhancement of the first CD band of the oligomer, and an unexpected concentration and time dependency were observed. For example, when 1.0 X 10(-3) M of Cu(OTf)(2) was added to a 1,2-dichloroethane solution of the oligomer (5.0 X 10(-4) M, unit concentration), the CD band appeared in the positive at first and gradually inverted into the negative with time.

  DOI：

  10.1021/jo300735j