N,N'-1-methylethylenebis(3-formyl-5-methylsalicylalimine) | 1246252-56-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N,N'-1-methylethylenebis(3-formyl-5-methylsalicylalimine)
• 英文别名: 3-[2-[(3-Formyl-2-hydroxy-5-methylphenyl)methylideneamino]propyliminomethyl]-2-hydroxy-5-methylbenzaldehyde
• CAS: 1246252-56-1
• 化学式: C₂₁H₂₂N₂O₄
• 分子量: 366.417
• InChiKey: TVJMVEYXRGZQSK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  27
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  99.3
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  manganese(II) chloride tetrahydrate 、 N,N'-1-methylethylenebis(3-formyl-5-methylsalicylalimine) 以 乙醇 、 水 为溶剂， 以85%的产率得到Mn(N,N'-1-methylethykenebis(3-formyl-5-methyl-salicylaldimine)Cl*4H2O
  参考文献：
  名称：

  单核和双核锰（III）配合物显示有效的邻苯二酚氧化酶活性：合成，表征和光谱研究

  摘要：

  四个侧面隔层 配体L 1 –L 4 [L 1 = N，N'-亚乙基双（3-甲酰基-5-甲基-水杨基醛亚胺），L 2 = N， N'-1-甲基亚乙基双（3-甲酰基-5-甲基水杨基亚胺基），L 3＝N， N′-1，1-二甲基亚乙基双（3-甲酰基-5-甲基水杨基醛二胺），L 4＝N，N′-环己烯双（3-甲酰基-5-甲基水杨基醛二胺）]，具有两个结合位点，N 2 O 2和。选择O 4来合成单核和双核锰（III）配合物，目的是使用以下方法研究儿茶酚酶的活性3,5-二-叔-butylcatechol（3,5-DTBC）作为分子氧存在的底物。在所有情况下，仅获得单核锰配合物（1-4），而锰配位仅在N 2 O 2结合位点发生，而与所使用的锰盐量无关。所有这些复合物均已通过常规物理化学技术表征。配合物MnL 2 Cl·4H 2 O（2）在结构上还通过X射线单晶结构分析来表征。在每个缩合两个未决的甲酰基后，获得了四个5-8的双核锰配合物。配体（L

  DOI：

  10.1039/b902498k

文献信息

• Design, synthesis and crystal structure of six macrocyclic complexes as efficient and effective nitric oxide scavengers
  作者：Qingrong Cheng、Yuqi Wan、Liwen Wang、Guiying Liao、Zhiquan Pan

  DOI：10.1016/j.poly.2018.08.061

  日期：2018.12

  Four new complexes of Robson-type macrocycles, [CuH(L-1)](2)(ClO4)(2)(H2O)(2) (1), [CuH(L-2)] ClO4 (2), [Cu H (L-3)](2)(ClO4)(2) (3), [Cu H(L-4)](2)(ClO4)(2)(CH3CH2OH)(2)(CH3CN)(2)(4) and two reported Robson-type macrocycles polymers [CuL5](H2O)(2)}(n), [MnL5](H2O)(2)}(n) (6) were obtained. The ligands (H2L1, H2L2, H2L3) are the products from the condensation between bata and N,N'-bis(3-formyl-5-X-salicylimine)-1,2-ethylenediimine (X = CH3, Cl, F), respectively. Ligands H2L4 and H2L5 are the products of N,N'-bis(3-formyl-5-methylsalicylimine)-1,2-propylenediimineand condensation with bafa and bapa, respectively. All the metal ions have unsaturated coordinated sites, which are available for NO binding. The binding of the complexes with NO molecules have been confirmed by UV-Vis spectrophotometry. The binding constants were calculated to be 1.28 x 10(3) M-1, 8.9 x 10(2)M(-1), 7.7 x 10(3) M-1, 1.2 x 10(3)M(-1), 1.2 x 10(3)M(-1), 1.3 x 10(3)M(-1) for 1, 2, 3, 4, 5 and 6, respectively. The control experiments revealed there was non-reversible binding of NO, which can be ascribed to specially coordination environment of the central ions. Moreover, the interactions of the complexes with calf thymus DNA (CT-DNA) have been measured by agarose gel electrophoresis, and unobvious DNA cleavage ability of complexes 1, 3 and 4 indicating no damage to DNA. The results reveal that complexes 1, 3 and 4 can be served as potential NO scavengers. (C) 2018 Published by Elsevier Ltd.