2,4,6-tris(4-(2-phenyl-2-keto-N-hydroxyacetimidoyloxy)benzylidenamino)-1,3,5-triazine | 1370658-77-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 2,4,6-tris(4-(2-phenyl-2-keto-N-hydroxyacetimidoyloxy)benzylidenamino)-1,3,5-triazine
• 英文别名: [4-[[4,6-bis[[4-(C-benzoyl-N-hydroxycarbonimidoyl)oxyphenyl]methylideneamino]-1,3,5-triazin-2-yl]iminomethyl]phenyl] N-hydroxy-2-oxo-2-phenylethanimidate
• CAS: 1370658-77-7
• 化学式: C₄₈H₃₃N₉O₉
• 分子量: 879.845
• InChiKey: BMIMOYCALWXZRM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.27
• 重原子数：
  66.0
• 可旋转键数：
  15.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  252.42
• 氢给体数：
  3.0
• 氢受体数：
  18.0

反应信息

• 作为产物：
  描述：

  2-异亚硝基苯乙酮 在 氯 、 三乙胺 作用下， 以 氯仿 、 丙酮 为溶剂， 反应 1.5h， 生成 2,4,6-tris(4-(2-phenyl-2-keto-N-hydroxyacetimidoyloxy)benzylidenamino)-1,3,5-triazine
  参考文献：
  名称：

  Synthesis and Characterization of S-Triazine Cored Tripodal Keto-oxime and Its Trinuclear Complexes

  摘要：

  2,4,6-Tris(4-hydroxybenzimino)-1,3,5-triazine (II) has been synthesized by the reaction of 1 equiv. melamine (I) and 3 equiv. 4-hydroxybenzaldehyde and characterized by means of elemental analysis, H-1 NMR, Fourier transform-infrared spectroscopy, and liquid chromatography-mass spectrometry (LC-MS). 2,4,6-tris(4-(2-phenyl-2-keto-hydroxyiminoyloxy)benzimino)-1,3,5-triazine L (III) has been synthesized by the reaction of 1 equiv. II and 3 equiv. chloroisonitrozoacetophenone and characterized by means of the same methods. Four novel trinuclear Fe(III) and Cr(III) complexes involving tetradentate Schiff bases N,N'-bis(salicylidene) ethylenediamine-(salenH(2)) or bis(salicylidene)-o-phenylenediamine(salophen H-2) with L (III) have been synthesized and characterized by means of elemental analysis, Fourier transform-infrared spectroscopy, LC-MS (ESI+), and thermal analyses. The metal ratios of the prepared complexes have been determined using atomic absorption spectroscopy. The aim of the present study is to synthesize novel tridirectional-trinuclear systems and to present their effects on magnetic behavior of [salen or salophenFe(III)/Cr(III)] capped complexes. The complexes have also been characterized as low-spin distorted octahedral Fe(III) and as distorted octahedral Cr(III) bridged by keton-oxime group.

  DOI：

  10.1080/00397911.2010.521967