2-((1-(1-adamantan-1-yl)ethyl)-imino-methyl)-5-methoxyphenol

• 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)-imino-methyl)-5-methoxyphenol
• 英文别名: N-(ethyl)(4-methoxysalicylidene)aniline；2-((1-(1-Adamantan-1-yl)ethyl)iminomethyl)-5-methoxyphenol；2-[1-(1-adamantyl)ethyliminomethyl]-5-methoxyphenol
• 化学式: C₂₀H₂₇NO₂
• 分子量: 313.44
• InChiKey: BWAQKBLTIJJASQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  41.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  [Pd((4-OMe)C6H3CH=NC6H3-2,6-i-Pr2)(μ-Cl)2 、 2-((1-(1-adamantan-1-yl)ethyl)-imino-methyl)-5-methoxyphenol 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 反应 21.0h， 以60%的产率得到
  参考文献：
  名称：

  Synthesis, characterization and interaction with bovine serum albumin of cyclometallated Pd(II) complexes containing arylimine and salicylaldimine co-ligands

  摘要：

  Cyclometallated Pd(II) complexes containing arylimine and salicylaldimine co-ligands were synthesized by the reactions of cyclopalladated chloro dimers [Pd{(4-R)C6H3CH=N-C6H3-2,6-i-Pr-2}(mu-Cl)](2) (R - H; OMe) with salen-based ligands derived from rimantadine. The complexes were characterized by FTIR, NMR spectroscopy, elemental analysis and X-ray crystallography. Interaction of cyclometallated Pd(II) complexes with BSA was studied by fluorescence and synchronous fluorescence spectroscopy. The fluorescence intensities of protein are decreased gradually with increasing concentration of complexes. In the synchronous fluorescence spectra of BSA at Delta lambda = 15 nm and Delta lambda = 60 nm, the fluorescence of intensities of protein also are decreased with increasing concentration of complexes. (C) 2015 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2015.04.050
• 作为产物：
  描述：

  2-羟基-4-甲氧基苯甲醛 、 盐酸金刚乙胺 在 potassium hydroxide 作用下， 以 乙醇 为溶剂， 反应 1.0h， 以75%的产率得到2-((1-(1-adamantan-1-yl)ethyl)-imino-methyl)-5-methoxyphenol
  参考文献：
  名称：

  三种铜 (II) 配合物的合成和晶体结构与源自金刚乙胺的庞大 Schiff 碱

  摘要：

  摘要 氯化铜 (II) 二水合物与源自金刚乙胺和水杨醛（或甲氧基取代的水杨醛）的三个庞大的席夫碱配体反应，分别生成 C38H48CuN2O2 (1)、C40H52CuN2O4 (2) 和 C40H52CuN2O4 (3)。这些配合物通过红外光谱、紫外-可见光、元素分析和摩尔电导表征。X 射线单晶衍射分析表明 1 具有两种不同的空间构型，1a 和 1b。对于 1a，每个不对称单元由一个单核铜 (II) 分子组成。对于 1b，每个不对称单元由两个铜 (II) 单核分子组成。所有配合物均在单斜晶系中结晶，1a和2为P21/c空间群；1b的P21/n空间群；C2/c 空间群为 3。1-3 的每个配合物由一个铜 (II) 和两个相应的去质子化配体组成。所有配合物中的中心铜 (II) 都是四配位的，通过来自相应席夫碱配体的两个氮和两个氧。1a、1b 和 2 中铜周围的几何形状是扭曲的方形平面，但在 3

  DOI：

  10.1080/00958972.2016.1228910

文献信息

• Syntheses and crystal structures of three copper(II) complexes with bulky Schiff bases derived from rimantadine
  作者：Xu-Dong Jin、Lei Kou、He-Ming Liang、Jian Tong、Peng Zhang、Guang-Chao Han、Ke-Jing Ren、Xiao-Bing Zhao

  DOI：10.1080/00958972.2016.1228910

  日期：2016.11.16

  copper(II) mononuclear molecules. All the complexes crystallize in the monoclinic system, P21/c space group for 1a and 2; P21/n space group for 1b; C2/c space group for 3. Each complex for 1–3 consists of one copper(II) and two corresponding deprotonated ligands. The central copper(II) in all complexes is four-coordinate via two nitrogens and two oxygens from the corresponding Schiff base ligands. The

  摘要 氯化铜 (II) 二水合物与源自金刚乙胺和水杨醛（或甲氧基取代的水杨醛）的三个庞大的席夫碱配体反应，分别生成 C38H48CuN2O2 (1)、C40H52CuN2O4 (2) 和 C40H52CuN2O4 (3)。这些配合物通过红外光谱、紫外-可见光、元素分析和摩尔电导表征。X 射线单晶衍射分析表明 1 具有两种不同的空间构型，1a 和 1b。对于 1a，每个不对称单元由一个单核铜 (II) 分子组成。对于 1b，每个不对称单元由两个铜 (II) 单核分子组成。所有配合物均在单斜晶系中结晶，1a和2为P21/c空间群；1b的P21/n空间群；C2/c 空间群为 3。1-3 的每个配合物由一个铜 (II) 和两个相应的去质子化配体组成。所有配合物中的中心铜 (II) 都是四配位的，通过来自相应席夫碱配体的两个氮和两个氧。1a、1b 和 2 中铜周围的几何形状是扭曲的方形平面，但在 3
• Synthesis, characterization and interaction with bovine serum albumin of cyclometallated Pd(II) complexes containing arylimine and salicylaldimine co-ligands
  作者：Xu-Dong Jin、Yajing Yang、Yuchun Jiang、Xiang Han、Xiaowen Wan、Daliang Liu、Xi-Ming Song、Xiaohong Chang

  DOI：10.1016/j.jorganchem.2015.04.050

  日期：2015.8

  Cyclometallated Pd(II) complexes containing arylimine and salicylaldimine co-ligands were synthesized by the reactions of cyclopalladated chloro dimers [Pd(4-R)C6H3CH=N-C6H3-2,6-i-Pr-2}(mu-Cl)](2) (R - H; OMe) with salen-based ligands derived from rimantadine. The complexes were characterized by FTIR, NMR spectroscopy, elemental analysis and X-ray crystallography. Interaction of cyclometallated Pd(II) complexes with BSA was studied by fluorescence and synchronous fluorescence spectroscopy. The fluorescence intensities of protein are decreased gradually with increasing concentration of complexes. In the synchronous fluorescence spectra of BSA at Delta lambda = 15 nm and Delta lambda = 60 nm, the fluorescence of intensities of protein also are decreased with increasing concentration of complexes. (C) 2015 Elsevier B.V. All rights reserved.