N,N'-bis(3-bromo-5-chlorosalicylidene)-1,3-diamino propane | 263350-92-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: N,N'-bis(3-bromo-5-chlorosalicylidene)-1,3-diamino propane
• 英文别名: 2-HO-3-Br-5-ClC6H3CHNCH2CH2CH2NCHC6H3-2-OH-3-Br-5-Cl；2-Bromo-6-[3-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]propyliminomethyl]-4-chlorophenol
• CAS: 263350-92-1
• 化学式: C₁₇H₁₄Br₂Cl₂N₂O₂
• 分子量: 509.024
• InChiKey: JOEPGCINSYFIEZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  65.2
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  zinc(II) chloride dihydrate 、 N,N'-bis(3-bromo-5-chlorosalicylidene)-1,3-diamino propane 以52%的产率得到
  参考文献：
  名称：

  CN115677530

  摘要：

  公开号：
• 作为产物：
  描述：

  3-溴-5-氯水杨醛 、 1,3-丙二胺 生成 N,N'-bis(3-bromo-5-chlorosalicylidene)-1,3-diamino propane
  参考文献：
  名称：

  卤化席夫碱配合物：一种新型特异性检测邻硝基苯酚的分子探针

  摘要：

  邻硝基苯酚 (2-NP) 是常见的硝基芳烃 (NAC) 易爆化学和环境污染物。由于硝基芳族化合物在结构和组成上的相似性，很难通过常规探针将 2-NP 与其他 NAC 区分开来。因此，迫切需要开发一种简单快速的 2-NP 痕量检测方法。在此，我们报道了一种由卤化席夫碱络合物 [Zn(3Br5Cl-salpn)(H 2 O) 2构建的新型分子荧光传感器] (Zn-χ-L)。可识别性分析表明，Zn-χ-L可作为2-NP的高选择性和灵敏分子传感器，荧光信号可快速识别2-NP并将2-NP与其他硝基芳烃区分开来，检测限为（LOD ) 为 2.20 μM，响应速度小于 15 秒。出乎意料的是，与传统的NACs探针相比，Zn-χ-L的荧光信号不受溶剂的影响，其强度在不同极性的溶剂中基本保持不变。基于实验数据，详细讨论了卤化配体以及配位水分子在提高灵敏度和特异性方面的潜在作用。

  DOI：

  10.1016/j.molstruc.2023.135440

文献信息

• Synthesis, Crystallographic Structure, Hirshfeld Surface Analysis, and DFT Calculations of Two Salen-Type Hetero-Halogenated Schiff Base Mn(IV)/(III) Complexes
  作者：Q. Wu、J. D. Li、F. X. Liu、J. C. Xiao、Y. F. Tang、Q. L. Zi

  DOI：10.1134/s1070328420020086

  日期：2020.2

  Two new supramolecular compounds [Mn-IV(mu-3-Br-5-Cl-Salpn)(mu-O)](2) center dot 2[DMF] (I) and [Mn-III(3-Br-5Cl-Salmen)(3-bromo-5-chlorosalicylaldehyde)](2) (II) (3-Br-5Cl-Salpn = N,N'-bis(3-bromo-5-chlorosalicylidene)-1,3-diamine and 3-Br-5Cl-Salmen = N,N'-bis(3-bromo-5-chlorosalicylidene)-1,2-diamine) have been synthesized via conventional solution method and characterized by single crystal (CIF files CCDC nos. 1855961 (I), 1900154 (II) and powder X-ray diffraction, IR spectroscopy and elemental analysis. The unconventional C-H center dot center dot center dot X (X = Cl and Br) supramolecular interaction within the compounds were qualitatively and quantitatively studied by Hirshfeld surface analysis. Additionally, in order to gain a deep insight into the electronic features of I, density functional theory was used for the calculations of the HOMO and LUMO energies and molecular electrostatic potential surface.
• Synthesis and structural characterisation of new manganese(II) and (III) complexes. Study of their photolytic and catalase activity and X-ray crystal structure of [Mn(3-OMe, 5-Br-salpn)(EtOH)(H2O)]ClO4
  作者：M Maneiro、M.R Bermejo、A Sousa、M Fondo、A.M González、A Sousa-Pedrares、Charles A McAuliffe

  DOI：10.1016/s0277-5387(99)00321-6

  日期：2000.1

  New [(MnL)-L-II(H2O)(2)] and [(MnL)-L-III(H2O)(2)]ClO4 complexes, where L are substituted N,N'-bis(salicylidene)propane-1,3-diamine (H(2)salpn) ligands have been prepared and thoroughly characterised by elemental analysis, IR and mass spectroscopy, conductivity and magnetic measurements at room temperature (and, in the case of 1, at variable temperature). Cyclic and normal pulse voltammetry measurements were also performed. All these studies support an octahedral geometry around the metal with the Schiff base in the equatorial plane acting as tetradentate and solvent molecules in the axial positions. Crystallographic characterisation of 6 confirms this geometry and shows a supramolecular structure involving pi-pi stacking and hydrogen bonding interactions. The ability to split water by these complexes and their catalase activity has also been studied. (C) 2000 Elsevier Science Ltd All rights reserved.