2-((1-(1-adamantan-1-yl)ethyl)iminomethyl)-4-chlorophenol | 1638417-14-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-((1-(1-adamantan-1-yl)ethyl)iminomethyl)-4-chlorophenol
• CAS: 1638417-14-7
• 化学式: C₁₉H₂₄ClNO
• 分子量: 317.859
• InChiKey: CWJUYUZOXNPNRM-SRZZPIQSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.07
• 重原子数：
  22.0
• 可旋转键数：
  3.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  32.59
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  2-((1-(1-adamantan-1-yl)ethyl)iminomethyl)-4-chlorophenol 、 zinc(II) chloride 以 乙醇 为溶剂， 反应 2.0h， 以58%的产率得到
  参考文献：
  名称：

  Synthesis, characterization, and antibacterial activity of two zinc(II) complexes with Schiff bases derived from rimantadine

  摘要：

  The reactions of zinc(II) chloride and two Schiff base ligands derived from rimantadine and 5-chlorosalicylaldehyde/4-methoxysalicylaldehydes, generated two novel complexes [Zn(L-1)(2)Cl-2] (I) and [Zn(L-2)(2)Cl-2] (II), where L-1 = 2-((1-(1-adamantan-1-yl) ethyl)-iminomethyl)-4-chlorophenol, L-2 = 2-((1-(1-adamantan-1-yl) ethyl) iminomethyl)-5-methoxyphenol. The complexes were characterized by the means of IR, H-1 NMR, elemental analysis, molar conductance and thermal analysis. A single-crystal X-ray diffraction analysis reveals that both complexes crystallize in orthorhombic system, space group Fdd2 for I and Pbcn for II. In two complexes crystals, each asymmetric unit consists of one zinc(II) ion, two corresponding Schiff base ligands and two chlorine atoms; the central zinc atom lies on a twofold rotation axis and is four-coordinate via two chlorine atoms and two oxygen atoms from the Schiff base ligands, forming a distorted tetrahedral geometry.

  DOI：

  10.1134/s1070328414050054
• 作为产物：
  描述：

  盐酸金刚乙胺 在 potassium hydroxide 作用下， 以 乙醇 为溶剂， 反应 28.0h， 生成 2-((1-(1-adamantan-1-yl)ethyl)iminomethyl)-4-chlorophenol
  参考文献：
  名称：

  Synthesis, characterization, and antibacterial activity of two zinc(II) complexes with Schiff bases derived from rimantadine

  摘要：

  The reactions of zinc(II) chloride and two Schiff base ligands derived from rimantadine and 5-chlorosalicylaldehyde/4-methoxysalicylaldehydes, generated two novel complexes [Zn(L-1)(2)Cl-2] (I) and [Zn(L-2)(2)Cl-2] (II), where L-1 = 2-((1-(1-adamantan-1-yl) ethyl)-iminomethyl)-4-chlorophenol, L-2 = 2-((1-(1-adamantan-1-yl) ethyl) iminomethyl)-5-methoxyphenol. The complexes were characterized by the means of IR, H-1 NMR, elemental analysis, molar conductance and thermal analysis. A single-crystal X-ray diffraction analysis reveals that both complexes crystallize in orthorhombic system, space group Fdd2 for I and Pbcn for II. In two complexes crystals, each asymmetric unit consists of one zinc(II) ion, two corresponding Schiff base ligands and two chlorine atoms; the central zinc atom lies on a twofold rotation axis and is four-coordinate via two chlorine atoms and two oxygen atoms from the Schiff base ligands, forming a distorted tetrahedral geometry.

  DOI：

  10.1134/s1070328414050054