2-(((1-(adamantan-1-yl)ethyl)imino)methyl)-4-bromophenol | 201992-21-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-(((1-(adamantan-1-yl)ethyl)imino)methyl)-4-bromophenol
• CAS: 201992-21-4
• 化学式: C₁₉H₂₄BrNO
• 分子量: 362.31
• InChiKey: KGLWRBMFKJFZCA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.18
• 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：

  cobalt(II) chloride hexahydrate 、 2-(((1-(adamantan-1-yl)ethyl)imino)methyl)-4-bromophenol 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 反应 2.0h， 以65%的产率得到
  参考文献：
  名称：

  Synthesis, characterization, and crystal structure of three cobalt(II) complexes with Schiff bases derived from rimantadine

  摘要：

  By condensation of rimantadine and substituted salicylaldehyde, three new Schiff bases, HL1, HL2 and HL3, were synthesized. Then, a mixture of one of the new ligands and cobalt(II) chloride hexahydrate in ethanol led to 1, 2, and 3, respectively. These complexes were characterized by melting point, elemental analysis, infrared spectra, molar conductance, thermal analysis, and single-crystal X-ray diffraction analysis. X-ray diffraction analysis reveals that 1 crystallizes in the orthorhombic system, Pbcn space group; each asymmetric unit consists of one cobalt(II) ion, two deprotonated ligands, and one lattice water. The central cobalt is four coordinate via two nitrogens and two oxygens from the corresponding Schiff base ligand, forming a distorted tetrahedral geometry. Complexes 2 and 3 crystallize in the monoclinic system, P2(1)/c space group; each asymmetric unit consists of one cobalt(II), two corresponding deprotonated ligands, one lattice water, and one methanol. The central cobalt is also four-coordinate via two nitrogens and two oxygens from the corresponding Schiff base ligand, forming a distorted tetrahedral geometry.

  DOI：

  10.1080/00958972.2014.885509
• 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 2.0h， 生成 2-(((1-(adamantan-1-yl)ethyl)imino)methyl)-4-bromophenol
  参考文献：
  名称：

  Synthesis, characterization, and crystal structure of three cobalt(II) complexes with Schiff bases derived from rimantadine

  摘要：

  By condensation of rimantadine and substituted salicylaldehyde, three new Schiff bases, HL1, HL2 and HL3, were synthesized. Then, a mixture of one of the new ligands and cobalt(II) chloride hexahydrate in ethanol led to 1, 2, and 3, respectively. These complexes were characterized by melting point, elemental analysis, infrared spectra, molar conductance, thermal analysis, and single-crystal X-ray diffraction analysis. X-ray diffraction analysis reveals that 1 crystallizes in the orthorhombic system, Pbcn space group; each asymmetric unit consists of one cobalt(II) ion, two deprotonated ligands, and one lattice water. The central cobalt is four coordinate via two nitrogens and two oxygens from the corresponding Schiff base ligand, forming a distorted tetrahedral geometry. Complexes 2 and 3 crystallize in the monoclinic system, P2(1)/c space group; each asymmetric unit consists of one cobalt(II), two corresponding deprotonated ligands, one lattice water, and one methanol. The central cobalt is also four-coordinate via two nitrogens and two oxygens from the corresponding Schiff base ligand, forming a distorted tetrahedral geometry.

  DOI：

  10.1080/00958972.2014.885509