2-((E)-(2-hydroxyethylimino) methyl)-4-chlorophenol

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-((E)-(2-hydroxyethylimino) methyl)-4-chlorophenol
• 英文别名: 2-((E)-(2-hydroxyethylimino)methyl)-4-chlorophenol；4-chloro-2-[(E)-(2-hydroxyethylimino)methyl]phenol
• 化学式: C₉H₁₀ClNO₂
• 分子量: 199.637
• InChiKey: DRWAJMXWWLLMCR-IZZDOVSWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.46
• 重原子数：
  13.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  52.82
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2-((E)-(2-hydroxyethylimino) methyl)-4-chlorophenol 、 copper(II) perchlorate hexahydrate 以 甲醇 为溶剂， 以82%的产率得到
  参考文献：
  名称：

  具有古巴核的新型铜 (II) 席夫碱配合物中的铁磁耦合：结构、磁性能、DFT 研究和催化活性

  摘要：

  由高氯酸铜(II)和三齿席夫碱配体4-氯-2-[(E)-(2-羟乙基亚氨基)自组装合成了一种新的四核络合物[Cu4L4]·2H2O(1)甲基]苯酚 (H2L)。单晶 X 射线衍射研究表明，配合物 1 由一个 Cu4O4 立方烷核心组成，其中四个铜 (II) 中心通过 μ3-烷氧基桥连接。每个 CuII 离子都采用扭曲的方形锥体几何形状，带有 CuNO4 生色团。变温磁化率数据表现出明显的铁磁交换相互作用，证实了结构单元的几何参数。基于 DFT 方法的理论计算已被用于量化 Cu…Cu 磁相互作用的强度，这有助于评估实验耦合常数：J1 = +64.8，J2 = +24.4 和 J3 = +3.0 cm–1。

  DOI：

  10.1002/ejic.200900493
• 作为产物：
  描述：

  C.I.酸性橙108 、 5-氯代水杨醛 以 乙醇 为溶剂， 生成 2-((E)-(2-hydroxyethylimino) methyl)-4-chlorophenol
  参考文献：
  名称：

  线性三核混合价MnIII-MnII-MnIII复合物：合成、晶体结构和表征

  摘要：

  摘要 合成了一种新的线性三核 MnIII-MnII-MnIII 复合物 1，并通过元素、光谱、X 射线和磁性分析对其进行了表征。X 射线衍射研究表明，中心 MnII 离子位于晶体学反转中心，并通过一个甲醇盐、一个顺式羧酸盐和一个羟基氧桥与末端 MnIII 离子三重桥连，MnIII…MnII 距离很短，即3.047 埃。在 1 的氢键组装中观察到分子间 CH…O、CH…π 和环金属相互作用。 磁性研究表明，混合价配合物 1 具有 S = 3/2 基态，MnII 和MnIII 离子。

  DOI：

  10.1080/15421406.2016.1177918

文献信息

• Ferromagnetic coupling in two tetranuclear Ni(II) complexes with cubane–like Ni4(μ3–O)4 core: Structure, spectroscopic and luminescence properties
  作者：Elif Gungor、Hulya Kara

  DOI：10.1016/j.molstruc.2020.127859

  日期：2020.5

  Abstract Two new tetranuclear [Ni4(L1)4(MeOH)4] (1) and [Ni4(L2)4(EtOH)(MeOH)(H2O)2]·H2O (2) complexes have been synthesized by solvothermal method. We here report the spectroscopic, structural, photoluminescence and magnetic properties of both complexes. Complex 1 and 2 exhibit a cubane-like Ni4O4 structure. All Ni(II) center has a slightly distorted octahedral geometry. The optical properties of 1 and

  摘要 采用溶剂热法合成了两种新的四核[Ni4(L1)4(MeOH)4](1)和[Ni4(L2)4(EtOH)(MeOH)(H2O)2]· (2)配合物。我们在这里报告了这两种配合物的光谱、结构、光致发光和磁性。配合物 1 和 2 表现出类似立方烷的 Ni4O4 结构。所有 Ni(II) 中心都具有略微扭曲的八面体几何形状。通过在可见光区获得的光致发光光谱分析了 1 和 2 的光学特性。已使用具有 2J 交换路径的海森堡哈密顿模型分析了变温 (2–300 K) 磁性研究。磁数据分析中的最佳拟合参数为 J1 = -2.38 cm-1, J2 = +5.43 cm-1, g = 2.2, Nα = 0.08 for 1, J1 = -2.34 cm-1, J2 = +4.90 cm−1，g = 2.2 且 Nα = 0.11（对于 2）。这些结果显示了 Ni(II) 中心之间的主要铁磁相互作
• Method for producing sulfoxide derivative
  申请人：KUMIAI CHEMICAL INDUSTRY CO., LTD.

  公开号：US10577313B2

  公开（公告）日：2020-03-03

  A method for producing a sulfoxide derivative represented by general formula (1), the method being characterized in that a sulfide derivative represented by general formula (2) is reacted with an oxidizing agent in the presence of a catalyst that is a metal-ligand complex containing a metal compound and, as a ligand, a compound represented by general formula (3), and in the presence of a benzoic acid compound represented by general formula (4)

  一种生产通式（1）所代表的亚砜衍生物的方法、 该方法的特征在于，由通式（2）表示的硫醚衍生物 在催化剂存在下与氧化剂反应，催化剂是一种金属-配体络合物，其中包含一种金属化合物和作为配体的通式 (3) 所代表的化合物、 和通式 (4) 所代表的苯甲酸化合物的存在下
• Synthesis and antimicrobial activities of Schiff bases derived from 5-chloro-salicylaldehyde
  作者：Lei Shi、Hui-Ming Ge、Shu-Hua Tan、Huan-Qiu Li、Yong-Chun Song、Hai-Liang Zhu、Ren-Xiang Tan

  DOI：10.1016/j.ejmech.2006.11.010

  日期：2007.4

  A series of Schiff bases (compounds 1-26) were synthesized by reacting 5-chloro-salicylaldehyde and primary amines, 15 (compounds 2-4, 6, 7, 10, 12-17, 23, 25 and 26) of which were first reported. The chemical structures of these compounds were confirmed by means of H-1 NMR, C-13 NMR, ESI-MS and elemental analyses. The compounds were assayed for antibacterial (Bacillus subtilis, Escherichia coli, Pseudomonas fluorescence and Staphylococcus aureus) and antifungal (Aspergillus niger, Candida albicans and Trichophyton rubrum) activities by MTT (3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl trtrazolium bromide) method. Among the compounds tested, (E)-4-chloro-2-((4-fluorobenzylimino)methyl)phenol (2) showed the most favorable antimicrobial activity with MICs of 45.2, 1.6, 2.8, 3.4, and 47.5 mu g/mL against B. subtilis, E. coli, P. fluorescence, S. aureus and A. niger, respectively. (c) 2006 Elsevier Masson SAS. All rights reserved.
• Two tridentate Schiff base ligands and their mononuclear cobalt (III) complexes: Synthesis, characterization, antibacterial and antifungal activities
  作者：Elif Gungor、Selma Celen、Dilek Azaz、Hulya Kara

  DOI：10.1016/j.saa.2012.03.034

  日期：2012.8

  Two Schiff base ligands (HL1, HL2) and their Co(III) complexes, [Co(HL1)(L1)] (1) and [Co(HL2)(L2)] (2) [where HL1 = 2-((E)-(2-hydroxyethylimino)methyl)-4-chlorophenol and HL2 = 2-((E)-(2-hydroxyethylimino)methyl)-4-bromophenol] were synthesized and characterized using spectroscopic methods. The crystal structures of 1 and 2 have been re-determined by single crystal diffraction at 100K. The ligands and their Co(III) complexes were screened for antibacterial and antifungal activities by the disc diffusion, microdilution broth and single spore culture techniques. The antimicrobial activity of the Co(III) complexes and the free ligands exhibit antimicrobial properties and the Co(III) complexes show enhanced inhibitory activity compared with their parent ligand. (C) 2012 Elsevier B.V. All rights reserved.
• METHOD FOR PRODUCING SULFOXIDE DERIVATIVE
  申请人：Kumiai Chemical Industry Co., Ltd.

  公开号：EP3424903B1

  公开（公告）日：2021-09-29