N',N''',N'''''-tri(benzoyl)benzene-1,3,5-tricarboxylic acid trihydrazide

• 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: N',N''',N'''''-tri(benzoyl)benzene-1,3,5-tricarboxylic acid trihydrazide
• 英文别名: N,N,N’-tris(benzoyl)trimesinic acid dihydrazide；1-N,3-N,5-N-tris[hydroxy(phenyl)methylidene]benzene-1,3,5-tricarbohydrazonic acid
• 化学式: C₃₀H₂₄N₆O₆
• 分子量: 564.557
• InChiKey: RNSOLCOUKGNBHV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  42
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  175
• 氢给体数：
  6
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N',N''',N'''''-tri(benzoyl)benzene-1,3,5-tricarboxylic acid trihydrazide 在 三氯氧磷 作用下， 以 乙腈 为溶剂， 以80%的产率得到2-[3,5-双(5-苯基-1,3,4-恶二唑-2-基)苯基]-5-苯基-1,3,4-恶二唑
  参考文献：
  名称：

  取代的 Tris-1,3,4-恶二唑的 1H 和 13C NMR 光谱

  摘要：

  1,3,5-三(5-取代-1,3,4-恶二唑-2-基)苯通过相应酰肼脱水制备。这些化合物的结构通过 IR、1H 和 13C NMR 光谱进行了阐明。© 1997 约翰威利父子公司。

  DOI：

  10.1002/(sici)1097-458x(199708)35:8<549::aid-omr131>3.0.co;2-1
• 作为产物：
  描述：

  1,3,5-苯三甲酰氯 、 苯甲酰肼 在 吡啶 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 反应 4.0h， 以87.3%的产率得到N',N''',N'''''-tri(benzoyl)benzene-1,3,5-tricarboxylic acid trihydrazide
  参考文献：
  名称：

  Synthesis and Geometric Structure of N,N,N'-tris(Benzoyl)trimesinic Acid Dihydrazide

  摘要：

  以苯甲酰肼和三氯化物为原料合成了N,N,N'-三(苯甲酰基)均苯三甲酸二酰肼，并通过傅里叶变换红外光谱、1H核磁共振等手段对N,N,N'-三(苯甲酰基)均苯三甲酸二酰肼进行了结构表征。磁共振技术。通过正交实验考察反应条件，正交实验优化的反应条件为苯甲酰肼：三氯化物摩尔比5：1，反应时间4 h，反应温度70 ℃，收率65.7 %。 SEM显示N,N,N'-三(苯甲酰基)均苯三甲酸二酰肼颗粒不完全规则，颗粒平均尺寸为3-4μm。同时，采用半经验方法PM3.5进行理论计算，对N,N,N’-三(苯甲酰基)均苯三甲酸二酰肼的几何结构进行了优化。

  DOI：

  10.14233/ajchem.2013.15610

文献信息

• 1H and13C NMR Spectroscopy of Substituted Tris-1,3,4-oxadiazoles
  作者：HASAN TASHTOUSH、RUFAIDA SUBAIHI AND MAHMOUD AL-TALIB

  DOI：10.1002/(sici)1097-458x(199708)35:8<549::aid-omr131>3.0.co;2-1

  日期：1997.8

  1,3,5‐Tris(5‐substituted‐1,3,4‐oxadiazol‐2‐yl)benzenes were prepared by the dehydration of the corresponding hydrazides. The structures of these compounds were elucidated by IR, 1H and 13C NMR spectroscopy. © 1997 John Wiley & Sons, Ltd.

  1,3,5-三(5-取代-1,3,4-恶二唑-2-基)苯通过相应酰肼脱水制备。这些化合物的结构通过 IR、1H 和 13C NMR 光谱进行了阐明。© 1997 约翰威利父子公司。
• Near-infrared-absorbing organic electrochromic materials
  申请人：Wang Zhi Yuan

  公开号：US20080188678A1

  公开（公告）日：2008-08-07

  The invention provides generally a new type of organic electrochromic Near Infrared (NIR)-active materials capable of absorbing and attenuating the light in the NIR region around 1550 nm and forming thin films on electrodes for variable optical attenuator (VOA) applications. They have utility in planar VOA devices. The materials are ruthenium complexes. Unsymmetrical complexes having two different substituents are disclosed, where one substituent is more electron-donating than the other. Complexes which are dimers or trimers (symmetrical or unsymmetrical) are disclosed, as are polymeric complexes. Crosslinked polymeric complex films are also disclosed.

  该发明通常提供了一种新型的有机电致变色近红外（NIR）活性材料，能够吸收和衰减大约1550纳米附近的NIR区域的光，并形成薄膜在电极上，用于可变光学衰减器（VOA）应用。它们在平面VOA设备中具有实用性。这些材料是钌配合物。披有两种不同取代基的非对称配合物被披露，其中一个取代基比另一个更具电子给予性。披有二聚体或三聚体（对称或非对称）的配合物被披露，以及聚合物配合物。还披露了交联聚合物复合薄膜。
• Excited State Luminescence of Multi-(5-phenyl-1,3,4-oxadiazo-2-yl)benzenes in an Electron-Donating Matrix: Exciplex or Electroplex?
  作者：Chih-Chiang Yang、Chia-Jung Hsu、Pi-Tai Chou、Hsu Chun Cheng、Yuhlong Oliver Su、Man-kit Leung

  DOI：10.1021/jp9093063

  日期：2010.1.21

  Multi-(5-phenyl-1,3,4-oxadiazo-2-yl)benzenes show emission in organic solvents from ultraviolet to blue (339-447 nm). The reduction potentials E-1/2(red) cover a large range of -2.11 V for 2,5-diphenyl-1,3,4-oxadiazole to -0.76 V for l,2,3,4,5,6-hexa(5-phenyl-1,3,4-oxadiazo-2-yl)benzene. An unexpectedly wide spectral range of the oxadiazole (OXD) exciplex emissions in PVK is observed, ranging from 406 to 603 nm. The OXDs also exhibit similar electroluminescence (EL) when blended into polyvinylcarbazole (PVK). A linear correlation between the lambda(max) of the electroluminescence and photoluminescence is observed, implying that the emission mechanisms in both processes are similar. In addition, the linear correlation between the E-1/2(red) versus of lambda(max) of EL (eV) reflected that the term of the charge-transfer configuration of the contact electron-hole pair plays a major role in the exciplex emission. The exciplex EL of 1,2,5-tri(5-phenyl- 1,3,4-oxadiazo-2-yl)benzene (5) could be as high as 1.0 cd/A. Since the exciplex emission usually has a large Stokes shift, this provides a window for us to generate duo emissions for near white light EL with high efficiency. Among the devices we tried, the device of PVK/2-tert-butylphenyl-5-biphenyl-1,3,4-oxadiazole/5/2,5,8,11-tetra-tert-butylperylene (100: 40:40:4) gave EL with good current efficiency of 1.63 cd/A.
• Synthesis and Geometric Structure of N,N,N'-tris(Benzoyl)trimesinic Acid Dihydrazide
  作者：Yan-Hua Cai、Li-Sha Zhao、Li-Ping Ren、Feng Wang

  DOI：10.14233/ajchem.2013.15610

  日期：——

  N,N,N’-Tris(benzoyl) trimesinic acid dihydrazide was synthesized from benzoyl hydrazine and trischloride and the structures of N,N,N’-tris(benzoyl) trimesinic acid dihydrazide had been characterized by Fourier transform infrared spectroscopy, 1H nuclear magnetic resonance techniques. The reaction condition was investigated by orthogonal experiment and the optimized reaction condition by orthogonal experiment is molar ratio of benzoyl hydrazine: trischloride 5:1, reaction time 4 h, reaction temperature 70 ºC, the yield is 65.7 %. SEM showed the particles of N,N,N’-tris(benzoyl)trimesinic acid dihydrazide were not completely regular and the average size of the particles was 3-4 μm. At the same time, the optimized geometric structure of N,N,N’-tris(benzoyl)trimesinic acid dihydrazide was carried out by theoretical calculations using the semiempirical method PM3.

  以苯甲酰肼和三氯化物为原料合成了N,N,N'-三(苯甲酰基)均苯三甲酸二酰肼，并通过傅里叶变换红外光谱、1H核磁共振等手段对N,N,N'-三(苯甲酰基)均苯三甲酸二酰肼进行了结构表征。磁共振技术。通过正交实验考察反应条件，正交实验优化的反应条件为苯甲酰肼：三氯化物摩尔比5：1，反应时间4 h，反应温度70 ℃，收率65.7 %。 SEM显示N,N,N'-三(苯甲酰基)均苯三甲酸二酰肼颗粒不完全规则，颗粒平均尺寸为3-4μm。同时，采用半经验方法PM3.5进行理论计算，对N,N,N’-三(苯甲酰基)均苯三甲酸二酰肼的几何结构进行了优化。