6,6''-bis(2-((tetrahydro-2H-pyran-2-yl)oxy)ethoxy)-2,2':6',2''-terpyridine | 1131347-92-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 6,6''-bis(2-((tetrahydro-2H-pyran-2-yl)oxy)ethoxy)-2,2':6',2''-terpyridine
• CAS: 1131347-92-6
• 化学式: C₂₉H₃₅N₃O₆
• 分子量: 521.613
• InChiKey: RMXDLWYVYUEFGD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.05
• 重原子数：
  38.0
• 可旋转键数：
  12.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  94.05
• 氢给体数：
  0.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  6,6''-bis(2-((tetrahydro-2H-pyran-2-yl)oxy)ethoxy)-2,2':6',2''-terpyridine 在 盐酸 作用下， 以 甲醇 为溶剂， 反应 1.0h， 以95%的产率得到
  参考文献：
  名称：

  Metalloregulation of Triple Helix Formation by Control of the Loop Conformation

  摘要：

  The flexible polypyridine ligand, 2,2':6',2 ''-terpyridine (terpy), was built into the backbone of oligonucleotides to form DNA conjugates. The terpy unit functioned as a good loop when the conjugates formed the bimolecular triplexes with complementary oligopurine. The triplex structure was destabilized by the specific interaction with divalent transition metal ions (Cu2+, Zn2+, and Fe2+), in particular Cu2+ ions. This ion destabilized one of the triplexes by 4.2 kcalmol(-1) or made the triplex formation constant less than 1/10(3) at 298 K. This result is attributed to the substantial turbulence of the terminal structure of the triplexes.

  DOI：

  10.1080/15257770802271813
• 作为产物：
  描述：

  2-(四氢-2H-吡喃-2-氧基)乙醇 、 6,6′′-二溴-2,2′:6′,2′′-三联吡啶 在 sodium hydride 作用下， 以 二乙二醇二甲醚 为溶剂， 反应 12.0h， 以69%的产率得到6,6''-bis(2-((tetrahydro-2H-pyran-2-yl)oxy)ethoxy)-2,2':6',2''-terpyridine
  参考文献：
  名称：

  Metalloregulation of Triple Helix Formation by Control of the Loop Conformation

  摘要：

  The flexible polypyridine ligand, 2,2':6',2 ''-terpyridine (terpy), was built into the backbone of oligonucleotides to form DNA conjugates. The terpy unit functioned as a good loop when the conjugates formed the bimolecular triplexes with complementary oligopurine. The triplex structure was destabilized by the specific interaction with divalent transition metal ions (Cu2+, Zn2+, and Fe2+), in particular Cu2+ ions. This ion destabilized one of the triplexes by 4.2 kcalmol(-1) or made the triplex formation constant less than 1/10(3) at 298 K. This result is attributed to the substantial turbulence of the terminal structure of the triplexes.

  DOI：

  10.1080/15257770802271813