3,6-bis(6-(((tetrahydro-2H-pyran-2-yl)oxy)methyl)pyridin-2-yl)pyridazine | 188394-37-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 3,6-bis(6-(((tetrahydro-2H-pyran-2-yl)oxy)methyl)pyridin-2-yl)pyridazine
• CAS: 188394-37-8
• 化学式: C₂₆H₃₀N₄O₄
• 分子量: 462.549
• InChiKey: FUZKTLQTMKJTNO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.69
• 重原子数：
  34.0
• 可旋转键数：
  8.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  88.48
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  3,6-bis(6-(((tetrahydro-2H-pyran-2-yl)oxy)methyl)pyridin-2-yl)pyridazine 在 对甲苯磺酸 作用下， 以 甲醇 为溶剂， 以98%的产率得到3,6-di(6-hydroxymethyl-2-pyridyl)pyridazine
  参考文献：
  名称：

  Double Subroutine Self-Assembly; Spontaneous Generation of a Nanocyclic Dodecanuclear Cu1 Inorganic Architecture

  摘要：

  AbstractThe newly synthesised ligand 2 combines binding components known to undergo specific and distinct self‐assembly processes with Cu1 ions. It complexes Cu1 to form, in almost quantitative yield, a large inorganic architecture 1 made up from four ligand molecules and twelve metal ions. The structure of 1 was ascertained by X‐ray radiocrystallography as well as by NMR spectroscopy and electrospray mass spectrometry. It consists of a macrocycle of nanometric dimension with an external diameter of 28 Å; the central cavity has a diameter of 11 Å, which contains four PF−6 anions as well as solvent molecules. The spontaneous formation of 1 results from a self‐assembly process based on a “program” combining two assembly subroutines, each specific to one of the ligand subunits. Self‐assembly through double or, more generally, multiple subroutines can be used to generate a wide variety of highly complex inorganic supramolecular architectures by combination of two or more assembly processes.

  DOI：

  10.1002/chem.19970030116
• 作为产物：
  描述：

  3,6-二氯哒嗪 、 2-[(2-tetrahydro-2H-pyranyloxy)methyl]-6-(tributylstannyl)-pyridine 在 四(三苯基膦)钯 作用下， 以 甲苯 为溶剂， 以25.6%的产率得到3,6-bis(6-(((tetrahydro-2H-pyran-2-yl)oxy)methyl)pyridin-2-yl)pyridazine
  参考文献：
  名称：

  Double Subroutine Self-Assembly; Spontaneous Generation of a Nanocyclic Dodecanuclear Cu1 Inorganic Architecture

  摘要：

  AbstractThe newly synthesised ligand 2 combines binding components known to undergo specific and distinct self‐assembly processes with Cu1 ions. It complexes Cu1 to form, in almost quantitative yield, a large inorganic architecture 1 made up from four ligand molecules and twelve metal ions. The structure of 1 was ascertained by X‐ray radiocrystallography as well as by NMR spectroscopy and electrospray mass spectrometry. It consists of a macrocycle of nanometric dimension with an external diameter of 28 Å; the central cavity has a diameter of 11 Å, which contains four PF−6 anions as well as solvent molecules. The spontaneous formation of 1 results from a self‐assembly process based on a “program” combining two assembly subroutines, each specific to one of the ligand subunits. Self‐assembly through double or, more generally, multiple subroutines can be used to generate a wide variety of highly complex inorganic supramolecular architectures by combination of two or more assembly processes.

  DOI：

  10.1002/chem.19970030116