cis-cis-3,3'-bis(2-methyl-5-(2-pyridyl))isoxazolidine | 847910-51-4

• 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: cis-cis-3,3'-bis(2-methyl-5-(2-pyridyl))isoxazolidine
• 英文别名: (3R,5S)-2-methyl-3-[(3S,5R)-2-methyl-5-pyridin-2-yl-1,2-oxazolidin-3-yl]-5-pyridin-2-yl-1,2-oxazolidine
• CAS: 847910-51-4
• 化学式: C₁₈H₂₂N₄O₂
• 分子量: 326.398
• InChiKey: XMGVSBZNCGEFPA-FZDBZEDMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  50.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  nickel(II) nitrate hexahydrate 、 cis-cis-3,3'-bis(2-methyl-5-(2-pyridyl))isoxazolidine 以 甲醇 、 氯仿 为溶剂， 以80%的产率得到[Ni(cis-cis-3,3'-bis(2-methyl-5-(2-pyridyl))isoxazolidine)(H2O)(NO3)]NO3
  参考文献：
  名称：

  Coordination preferences of 3,3′-biisoxazolidines: A new kind of conformationally flexible chelating ligand

  摘要：

  3,3'-Bi{2-methyl-5-Ar}isoxazolidines (Ar = 2-Py, L-1; Ph, L-2) were designed as new conformational flexible N-donor multidentates. They readily form complexes with metal ions and the coordination preferences of the ligands were characterized by means of H-1 NMR spectroscopy and X-ray crystallography. In the [(Cp*IrCl2)(2){L-1}] complex the ligand bridges two iridium ions employing pyridyl-N functions, while in [Cp*Ir(L-2)Cl]Cl and Cu{L-2}Cl-2 (.) CHCl3 the ligand forms five-membered chelates via the isoxazolidine nitrogen atoms. Tridentate coordination in [Ni{L-1}(H2O)(NO3)]NO3 supports formation of two chelates involving donors of two isoxazolidine and of pyridyl groups, with a facial arrangement of the binding sites around octahedral Ni ions. In associate [UO2(CH3OH)(2)(NO3)(2)] (.) L-1 the non-coordinating biisoxazolidine is involved in hydrogen bonding with molecular bis-methanol uranyl nitrate moieties. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2005.04.029