N-(3,4,5-cetyloxybenzoyl)-N'-(4'-nitrobenzoyl)hydrazine | 935677-83-1

• 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-(3,4,5-cetyloxybenzoyl)-N'-(4'-nitrobenzoyl)hydrazine
• 英文别名: 3,4,5-trihexadecoxy-N'-(4-nitrobenzoyl)benzohydrazide
• CAS: 935677-83-1
• 化学式: C₆₂H₁₀₇N₃O₇
• 分子量: 1006.55
• InChiKey: NMTNPPUDOCRRMT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  25.4
• 重原子数：
  72
• 可旋转键数：
  50
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  132
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  N-(3,4,5-cetyloxybenzoyl)-N'-(4'-nitrobenzoyl)hydrazine 在 sodium hydrogen sulfide 作用下， 生成 N'-(4-aminobenzoyl)-3,4,5-trihexadecoxybenzohydrazide
  参考文献：
  名称：

  Morphology tunable organogels based on dihydrazide derivatives

  摘要：

  We report on the organogels of a new series of compounds containing a dihydrazide unit in the rigid core and three long alkoxy chains. SEM images revealed that the morphologies of the xerogels strongly depend on the polarity of the gelling solvent. Textured spheroid-like morphologies were observed in the xerogels from low polar aromatic solvents such as benzene, whereas fibrous morphologies from ethanol. Further detailed analysis of their aggregation modes was conducted by FT-IR and X-ray diffraction measurement. The cooperation of hydrogen bonds, hydrophobic interactions and the van der Waals interactions should to be the key point of the self-assembly. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molliq.2012.07.001
• 作为产物：
  描述：

  没食子酸乙酯 在 吡啶 、 potassium carbonate 、 一水合肼 、 potassium iodide 作用下， 以 四氢呋喃 、 乙醇 、 丙酮 为溶剂， 反应 8.0h， 生成 N-(3,4,5-cetyloxybenzoyl)-N'-(4'-nitrobenzoyl)hydrazine
  参考文献：
  名称：

  Hydrazide-based organogels and liquid crystals with columnar order

  摘要：

  我们报告了一系列新化合物的合成和自组装过程，这些化合物的刚性核心含有一个酰肼单元和三个长度不等的烷氧基链。化合物 N-(3,4,5-乙酰氧基苯甲酰基)-N′-(4′-硝基苯甲酰基) 肼 (C16) 和 N-(3,4,5-十二烷氧基苯甲酰基)-N′-(4′-硝基苯甲酰基) 肼 (C12) 在几种无极性有机溶剂中表现出稳定的柱状相和很强的凝胶能力。通过广角 X 射线衍射分析发现，液晶态和异凝胶中都存在柱状结构。SEM 和 TEM 图像显示，分子在异凝胶中自组装成扭曲的纤维状聚集体。傅立叶变换红外光谱和 1H NMR 研究证实，分子间氢键和范德华相互作用是液晶和凝胶自组装形成的主要驱动力。傅立叶变换红外光谱和 X 射线衍射测量进一步详细分析了它们的聚集模式。

  DOI：

  10.1039/b614444f

文献信息

• Hydrazide-based organogels and liquid crystals with columnar order
  作者：Binglian Bai、Haitao Wang、Hong Xin、Fenglong Zhang、Beihong Long、Xiaobing Zhang、Songnan Qu、Min Li

  DOI：10.1039/b614444f

  日期：——

  We report on the synthesis and self-assembly of a new series of compounds containing a hydrazide unit in the rigid core and three alkoxy chains with varying lengths. The compounds N-(3,4,5-cetyloxybenzoyl)-N′-(4′-nitrobenzoyl) hydrazine (C16) and N-(3,4,5-dodecyloxybenzoyl)-N′-(4′-nitrobenzoyl) hydrazine (C12) exhibited stable columnar phase and strong gelation ability in several apolar organic solvents. The columnar structure was found both in the liquid crystalline state and in the xerogels by wide-angle X-ray diffraction analysis. SEM and TEM images revealed that the molecules self-assembled into twist fibrous aggregates in the xerogels. FT-IR and 1H NMR studies confirmed that the intermolecular hydrogen bonding and van der Waals interactions were the major driving force for the formation of self-assembling both the liquid crystals and gels processes. Further detailed analysis of their aggregation modes were conducted by FT-IR spectroscopy and X-ray diffraction measurement.

  我们报告了一系列新化合物的合成和自组装过程，这些化合物的刚性核心含有一个酰肼单元和三个长度不等的烷氧基链。化合物 N-(3,4,5-乙酰氧基苯甲酰基)-N′-(4′-硝基苯甲酰基) 肼 (C16) 和 N-(3,4,5-十二烷氧基苯甲酰基)-N′-(4′-硝基苯甲酰基) 肼 (C12) 在几种无极性有机溶剂中表现出稳定的柱状相和很强的凝胶能力。通过广角 X 射线衍射分析发现，液晶态和异凝胶中都存在柱状结构。SEM 和 TEM 图像显示，分子在异凝胶中自组装成扭曲的纤维状聚集体。傅立叶变换红外光谱和 1H NMR 研究证实，分子间氢键和范德华相互作用是液晶和凝胶自组装形成的主要驱动力。傅立叶变换红外光谱和 X 射线衍射测量进一步详细分析了它们的聚集模式。
• Morphology tunable organogels based on dihydrazide derivatives
  作者：Binglian Bai、Jue Wei、Jian Zhao、Haitao Wang、Min Li

  DOI：10.1016/j.molliq.2012.07.001

  日期：2012.9

  We report on the organogels of a new series of compounds containing a dihydrazide unit in the rigid core and three long alkoxy chains. SEM images revealed that the morphologies of the xerogels strongly depend on the polarity of the gelling solvent. Textured spheroid-like morphologies were observed in the xerogels from low polar aromatic solvents such as benzene, whereas fibrous morphologies from ethanol. Further detailed analysis of their aggregation modes was conducted by FT-IR and X-ray diffraction measurement. The cooperation of hydrogen bonds, hydrophobic interactions and the van der Waals interactions should to be the key point of the self-assembly. (C) 2012 Elsevier B.V. All rights reserved.