2-((1-(1-adamantan-1-yl)ethyl)iminomethyl)-5-methoxyphenol | 1346265-89-1

• 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)-5-methoxyphenol
• 英文别名: 2-((E)-1-(adamantan-1-yl)ethyliminomethyl)-5-methoxyphenol
• CAS: 1346265-89-1
• 化学式: C₂₀H₂₇NO₂
• 分子量: 313.44
• InChiKey: BWAQKBLTIJJASQ-CIAFOILYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.42
• 重原子数：
  23.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  41.82
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2-((1-(1-adamantan-1-yl)ethyl)iminomethyl)-5-methoxyphenol 、 zinc(II) chloride 以 乙醇 为溶剂， 反应 2.0h， 以62%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)-5-methoxyphenol
  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

文献信息

• Synthesis, Crystal Structure, and Magnetic Property of four Manganese(II) Complexes with Bulky Schiff bases Derived from Amantadine and Rimantadine
  作者：X. D. Jin、X. X. Feng、L. C. Bu、W. C. Wang、J. Tong、P. Zhang、Y. D. Qi、C. Yang

  DOI：10.1134/s1070328419030047

  日期：2019.3

  AbstractThe reactions of manganese(II) chloride tetrahydrate and four bulky Schiff base ligands derived from amantadine (or rimantadine) and salicylaldehyde (or 4-methoxysalicylaldehyde) generated four novel complexes, C34H42Cl2MnN2O2 (I), C36H46Cl2MnN2O4 (II), C38H50Cl2MnN2O2 (III), and C40H54Cl2MnN2O4 (IV), respectively. These complexes were characterized by melting point, infrared spectra, elemental

  摘要四水合氯化锰（II）与金刚烷胺（或金刚烷胺）和水杨醛（或4-甲氧基水杨醛）衍生的四个庞大的席夫碱配体的反应生成了四个新型配合物C 34 H 42 Cl 2 MnN 2 O 2（I），C 36 H 46 Cl 2 MnN 2 O 4（II），C 38 H 50 Cl 2 MnN 2 O 2（III）和C 40 H 54 Cl 2 MnN2 O 4（IV）。这些配合物的特征在于熔点，红外光谱，元素分析，磁化率，摩尔电导和单晶X射线衍射（CIF文件CCDC No.1 540 253（I），1 540 254（II），1 540 255 （III），1 540 256（IV））。单晶X射线衍射分析表明，I，III和IV在正交晶系中具有空间群P 2 1 2 1 2 1，Pbcn和Pcan结晶，而II在单斜系统中以空间群P 2 1 / n结晶。I – IV的每个不对称单元均由一个锰（II）原子，两