N,N’-bis(5-chlorosalicylidene)-2,2-dimethyl-1,3-diaminopropane | 1268522-66-2

• 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(5-chlorosalicylidene)-2,2-dimethyl-1,3-diaminopropane
• 英文别名: N,N'-bis(5-chloro-2-hydroxybenzylidene)-2-methylpropane-1,2-diamine；4-chloro-2-[[2-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-methylpropyl]iminomethyl]phenol
• CAS: 1268522-66-2
• 化学式: C₁₈H₁₈Cl₂N₂O₂
• 分子量: 365.259
• InChiKey: QOXNVSNLQJIBDM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 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：

  N,N’-bis(5-chlorosalicylidene)-2,2-dimethyl-1,3-diaminopropane 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 生成 (2,2-dimethyl-1,3-propanediyl)bis(iminomethylene)bis(4-chlorophenol)
  参考文献：
  名称：

  深入了解高氯酸盐抗衡离子和不同非共价相互作用在单阴离子丙二酸桥联三核钴与四齿 N2O2 供体配体的混合价阳离子配合物的固态结构中的作用

  摘要：

  两个线性混合价三核中心对称钴(III)-钴(II)-钴(III)配合物，[Co II {(μ-L 1 )(μ-OOCCH 2 COOH)Co III (DMF)} 2 ](ClO 4 ) 2 ⋅2DMSO (1)和 [Co II {(μ-L 2 )(μ-OOCCH 2 COOH)Co III (DMF)} 2 ](ClO 4 ) 2 ⋅2DMSO (2)已使用四齿 N 合成2 O 2供体“还原型席夫碱”配体，H 2 L 1(2,2-二甲基-1,3-丙二基)双(亚氨基亚甲基)双(苯酚)和H 2 L 2 (2,2-二甲基-1,3-丙二基)双(亚氨基亚甲基)双(4-氯苯酚)，和丙二酸作为阴离子共配体。复合物已通过光谱测量进行表征，其固态结构已通过单晶 X 射线衍射分析确定。使用 DFT 计算分析了在两种复合物的固态结构中观察到的一些超分子组装，特别是 CH 3 ···π 和 Cl···Cl 相互作用。QTAIM

  DOI：

  10.1016/j.ica.2022.121324
• 作为产物：
  描述：

  5-氯代水杨醛 、 1,2-二氨基-2-甲基丙烷 生成 N,N’-bis(5-chlorosalicylidene)-2,2-dimethyl-1,3-diaminopropane
  参考文献：
  名称：

  μ-氧桥联二聚铁（III）配合物的晶体结构

  摘要：

  二聚体 [{Fe(5-ClL1)}2(μ-O)], [H2-5-ClL1 = N,N'-bis(5-chloro-2-hydroxybenzylidene)-2-methylpropane-1,2-二胺]四齿席夫碱配合物 1 已合成，其晶体结构已通过单晶 X 射线衍射分析确定。复合物 1 的结构分析表明该复合物是一个中心对称的二聚体。每个 Fe(III) 离子都具有五配位几何结构，一个氧原子桥接两个 Fe(III) 离子以形成 μ-oxo 结构。铁原子周围的几何形状可以描述为具有 FeN2O2 配位平面和氧配体的方形金字塔。

  DOI：

  10.1134/s0022476615080120

文献信息

• Crystal structure of a μ-oxo-bridged dimeric iron(III) complex
  作者：Y. Yahsi、E. Gungor、C. Kazak、H. Kara

  DOI：10.1134/s0022476615080120

  日期：2015.12

  complex, 1, has been synthesized and its crystal structure has been determined by single crystal X-ray diffraction analysis. Structural analysis of complex 1 shows that the complex is a centrosymmetric dimer. Each of the Fe(III) ions has a five-coordinate geometry and one oxygen atom bridges two Fe(III) ions to form a μ-oxo structure. The geometry around iron atom can be described as a square based

  二聚体 [Fe(5-ClL1)}2(μ-O)], [H2-5-ClL1 = N,N'-bis(5-chloro-2-hydroxybenzylidene)-2-methylpropane-1,2-二胺]四齿席夫碱配合物 1 已合成，其晶体结构已通过单晶 X 射线衍射分析确定。复合物 1 的结构分析表明该复合物是一个中心对称的二聚体。每个 Fe(III) 离子都具有五配位几何结构，一个氧原子桥接两个 Fe(III) 离子以形成 μ-oxo 结构。铁原子周围的几何形状可以描述为具有 FeN2O2 配位平面和氧配体的方形金字塔。
• Performance‐Advantaged Stereoregular Recyclable Plastics Enabled by Aluminum‐Catalytic Ring‐Opening Polymerization of Dithiolactone
  作者：Yinuo Zhu、Maosheng Li、Yanchao Wang、Xianhong Wang、Youhua Tao

  DOI：10.1002/anie.202302898

  日期：2023.6.12

  Aluminum complexes have appropriate binding affinity with sulfide propagating species, avoiding catalyst poisoning and minimizing epimerization reactions. By proper ligand design and modification, the aluminum catalysts enabled the production of highly isotactic, stereocomplexed polythioester. The obtained dithiolactone-based plastic is a tough semicrystalline material, and exhibits complete recyclability

  铝络合物与硫化物增长物质具有适当的结合亲和力，可避免催化剂中毒并最大限度地减少差向异构化反应。通过适当的配体设计和修饰，铝催化剂能够生产高度全同立构的立体络合聚硫酯。获得的二硫内酯基塑料是一种坚韧的半结晶材料，具有完全的可回收性。
• Mono- and dinuclear Fe(III) complexes with the N2O2 donor 5-chlorosalicylideneimine ligands; synthesis, X-ray structural characterization and magnetic properties
  作者：Yasemin Yahsi、Hulya Kara、Lorenzo Sorace、Orhan Buyukgungor

  DOI：10.1016/j.ica.2010.10.027

  日期：2011.1

  Two novel monomeric [C18H17Cl3N2O2Fe] (1) and dimeric [C38H36N4O4Cl6Fe2] (2) Fe(III) tetradentate Schiff base complexes have been synthesized and their crystal structures have been determined by single crystal X-ray diffraction analysis. In complex (1) the Schiff base ligand coordinates toward one iron atom in a tetradentate mode and each iron atom is five coordinated with the coordination geometry around iron atom which can be described as a distorted square pyramid. The presence of a short (2.89 angstrom) non-bonding interatomic Fe center dot center dot center dot O distances between adjacent monomeric Fe(III) complexes results in the formation of a dimer. Structural analysis of compound (2) shows that the structure is a centrosymmetric dimer in which the six coordinated Fe(III) atoms are linked by mu-phenoxo bridges from one of the phenolic oxygen atoms of each Schiff base ligand to the opposite metal center. The variable-temperature (2-300 K) magnetic susceptibility (chi) data of these two compounds have been investigated. The results show that for both complexes Fe(III) centers are in the high spin configuration (S = 5/2) and indicate antiferromagnetic spin-exchange interaction between Fe(III) ions. The obtained results are briefly discussed using magnetostructural correlations developed for other class of iron(III) complexes. (C) 2010 Elsevier B.V. All rights reserved.
• An insight to the role of perchlorate counter ions and different non-covalent interactions in the solid state structures of mono-anionic malonic acid bridged trinuclear mixed valence cationic complexes of cobalt with tetradentate N2O2 donor ligands
  作者：Sudip Bhunia、Rosa M. Gomila、Antonio Frontera、Shouvik Chattopadhyay

  DOI：10.1016/j.ica.2022.121324

  日期：2023.3

  centrosymmetric cobalt(III)-cobalt(II)-cobalt(III) complexes, [CoII(μ-L1)(μ-OOCCH2COOH)CoIII(DMF)}2](ClO4)2⋅2DMSO (1) and [CoII(μ-L2)(μ-OOCCH2COOH)CoIII(DMF)}2](ClO4)2⋅2DMSO (2) have been synthesized using tetradentate N2O2 donor ‘reduced Schiff base’ ligands, H2L1 (2,2-dimethyl-1,3-propanediyl)bis(iminomethylene)bis(phenol) and H2L2 (2,2-dimethyl-1,3-propanediyl)bis(iminomethylene)bis(4-chlorophenol)

  两个线性混合价三核中心对称钴(III)-钴(II)-钴(III)配合物，[Co II (μ-L 1 )(μ-OOCCH 2 COOH)Co III (DMF)} 2 ](ClO 4 ) 2 ⋅2DMSO (1)和 [Co II (μ-L 2 )(μ-OOCCH 2 COOH)Co III (DMF)} 2 ](ClO 4 ) 2 ⋅2DMSO (2)已使用四齿 N 合成2 O 2供体“还原型席夫碱”配体，H 2 L 1(2,2-二甲基-1,3-丙二基)双(亚氨基亚甲基)双(苯酚)和H 2 L 2 (2,2-二甲基-1,3-丙二基)双(亚氨基亚甲基)双(4-氯苯酚)，和丙二酸作为阴离子共配体。复合物已通过光谱测量进行表征，其固态结构已通过单晶 X 射线衍射分析确定。使用 DFT 计算分析了在两种复合物的固态结构中观察到的一些超分子组装，特别是 CH 3 ···π 和 Cl···Cl 相互作用。QTAIM
• Stereoselective Ring‐opening Polymerization of <i>S</i>‐Carboxyanhydrides Using Salen Aluminum Catalysts: A Route to High‐Isotactic Functionalized Polythioesters
  作者：Yinuo Zhu、Youhua Tao

  DOI：10.1002/anie.202317305

  日期：2024.2.26

  We report the use of salen aluminum catalysts for the stereoselective ROP of various SCAs without epimerization, affording functionalized polythioester with high molecular weight up to 37.6 kDa and the highest Pm value up to 0.99. Notably, the ROP of TlaSCA (SCA prepared from thiolactic acid) generates the first example of a isotactic crystalline poly(thiolactic acid), which exhibited a distinct Tm

  我们报道了使用萨伦铝催化剂对各种 SCA 进行立体选择性 ROP，无需差向异构化，得到分子量高达 37.6 kDa 且最高P m值高达 0.99 的官能化聚硫酯。值得注意的是，TlaSCA（由硫代乳酸制备的 SCA）的 ROP 产生了全同立构结晶聚（硫代乳酸）的第一个实例，其表现出 152.6 °C 的独特T m值。