1,3-bis(3-methoxy-4-methylbenzoate)triazene | 1352662-39-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,3-bis(3-methoxy-4-methylbenzoate)triazene
• 英文别名: Methyl 2-methoxy-4-[2-(3-methoxy-4-methoxycarbonylphenyl)iminohydrazinyl]benzoate；methyl 2-methoxy-4-[2-(3-methoxy-4-methoxycarbonylphenyl)iminohydrazinyl]benzoate
• CAS: 1352662-39-5
• 化学式: C₁₈H₁₉N₃O₆
• 分子量: 373.365
• InChiKey: HDRSGLQAPIFFQM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  27
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  108
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  二甲基亚砜 、 1,3-bis(3-methoxy-4-methylbenzoate)triazene 、 bis-triphenylphosphine-palladium(II) chloride 在 triethylamine 作用下， 以 甲醇 为溶剂， 以35%的产率得到
  参考文献：
  名称：

  Three-dimensional triazenido layers attained through classical and non-classical hydrogen interactions and its coordination to palladium under prolific occurrence of bifurcated hydrogen bonding

  摘要：

  The new ligand 1,3-bis(3-methoxy-4-methylbenzoate) triazene (1, bmmbt), and the already known ligand 1,3-bis(4-acetylphenyl)triazene (bapht), yield the two new palladium(II) complexes [(bmmbt)Pd(PPh3)(2)Cl]center dot DMSO (2) and [(bapht)Pd(PPh3)(2)Cl] (3) (Ph = phenyl; DMSO = dimethylsulfoxide). Compound 1 shows the existence of more than one interaction promoting the coupling between the triazene chains. Other remarkable types of interactions in 1 are bifurcated hydrogen contacts and non-classical CH center dot center dot center dot pi bonding. Complexes 2 and 3 present a planar geometry, supported also through bifurcated intramolecular Cl center dot center dot center dot H-C interactions, as well as the occurrence of trifurcated Cl center dot center dot center dot H-C intermolecular interactions. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.10.009

文献信息

• Three-dimensional triazenido layers attained through classical and non-classical hydrogen interactions and its coordination to palladium under prolific occurrence of bifurcated hydrogen bonding
  作者：Davi Fernando Back、Manfredo Hörner、Fernanda Broch、Gelson Manzoni de Oliveira

  DOI：10.1016/j.poly.2011.10.009

  日期：2012.1

  The new ligand 1,3-bis(3-methoxy-4-methylbenzoate) triazene (1, bmmbt), and the already known ligand 1,3-bis(4-acetylphenyl)triazene (bapht), yield the two new palladium(II) complexes [(bmmbt)Pd(PPh3)(2)Cl]center dot DMSO (2) and [(bapht)Pd(PPh3)(2)Cl] (3) (Ph = phenyl; DMSO = dimethylsulfoxide). Compound 1 shows the existence of more than one interaction promoting the coupling between the triazene chains. Other remarkable types of interactions in 1 are bifurcated hydrogen contacts and non-classical CH center dot center dot center dot pi bonding. Complexes 2 and 3 present a planar geometry, supported also through bifurcated intramolecular Cl center dot center dot center dot H-C interactions, as well as the occurrence of trifurcated Cl center dot center dot center dot H-C intermolecular interactions. (C) 2011 Elsevier Ltd. All rights reserved.