N-(4-propyloxybenzoyl)-N'-(4'-nitrobenzoyl)hydrazine

• 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-(4-propyloxybenzoyl)-N'-(4'-nitrobenzoyl)hydrazine
• 英文别名: 4-nitro-N'-(4-propoxybenzoyl)benzohydrazide
• 化学式: C₁₇H₁₇N₃O₅
• 分子量: 343.339
• InChiKey: UJLLQXZICHSWLI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  113
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  ethyl 4-propoxybenzoate 在 一水合肼 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 8.0h， 生成 N-(4-propyloxybenzoyl)-N'-(4'-nitrobenzoyl)hydrazine
  参考文献：
  名称：

  Smectic A liquid crystals from dihydrazide derivatives with lateral intermolecular hydrogen bonding

  摘要：

  Six dissymmetrical dihydrazide derivatives, N-(4-alkoxybenzoyl)-N'-(4'-nitrobenzoyl) hydrazine (Cn-NO2) and N-(4alkoxybenzoyl)-N'-(4'-biphenyl carbonyl) hydrazine (Cn-Ph), were synthesized and investigated by means of differential scanning calorimetry, polarized optical microscopy and wide angle X-ray diffraction. The compounds exhibit smectic A, phase. Based on the results of H-1 NMR and variable temperature FT-IR spectroscopy, lateral intermolecular hydrogen bonding between -C=O and -N-H groups was proposed and the effect of hydrogen bonding on the phase transitions was discussed. It was concluded that the combination of lateral intermolecular hydrogen bonding and microphase segregation stabilized the smectic A phase. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.04.004

文献信息

• Smectic A liquid crystals from dihydrazide derivatives with lateral intermolecular hydrogen bonding
  作者：Dongmei Pang、Haitao Wang、Min Li

  DOI：10.1016/j.tet.2005.04.004

  日期：2005.6

  Six dissymmetrical dihydrazide derivatives, N-(4-alkoxybenzoyl)-N'-(4'-nitrobenzoyl) hydrazine (Cn-NO2) and N-(4alkoxybenzoyl)-N'-(4'-biphenyl carbonyl) hydrazine (Cn-Ph), were synthesized and investigated by means of differential scanning calorimetry, polarized optical microscopy and wide angle X-ray diffraction. The compounds exhibit smectic A, phase. Based on the results of H-1 NMR and variable temperature FT-IR spectroscopy, lateral intermolecular hydrogen bonding between -C=O and -N-H groups was proposed and the effect of hydrogen bonding on the phase transitions was discussed. It was concluded that the combination of lateral intermolecular hydrogen bonding and microphase segregation stabilized the smectic A phase. (c) 2005 Elsevier Ltd. All rights reserved.