2-methoxy-5-<<(4-chlorophenyl)imino>methyl>phenol | 115095-36-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-methoxy-5-<<(4-chlorophenyl)imino>methyl>phenol
• 英文别名: 2-methoxy-5-[[(4-chlorophenyl)imino]methyl]phenol；5-[(4-Chlorophenyl)iminomethyl]-2-methoxyphenol
• CAS: 115095-36-8
• 化学式: C₁₄H₁₂ClNO₂
• 分子量: 261.708
• InChiKey: GHBCVAGKLRZZHL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  41.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-methoxy-5-<<(4-chlorophenyl)imino>methyl>phenol 、 4-(N,N-dimethylamino)benzaldehyde 4-nitrophenylhydrazone 在 高氯酸四乙基铵 作用下， 以 乙腈 为溶剂， 以80%的产率得到4-chloro-N-(4-dimethylaminobenzylidene)aniline
  参考文献：
  名称：

  Electrochemical synthesis of heterocyclic compounds. 17. Anodic oxidation of hydrazones in the presence of heteroaromatic and Schiff bases

  摘要：

  DOI：

  10.1021/jo00256a033
• 作为产物：
  描述：

  异香兰素 、 对氯苯胺 生成 2-methoxy-5-<<(4-chlorophenyl)imino>methyl>phenol
  参考文献：
  名称：

  Synthesis, crystal growth, structural and physicochemical studies of novel binary organic complex: 4-chloroaniline–3-hydroxy-4-methoxybenzaldehyde

  摘要：

  The solid-state reaction, which is solvent free and green synthesis, has been adopted to explore the novel compound. The phase diagram of 4-chloroaniline (CA) and 3-hydroxy-4-methoxybenzaldehyde (HMB) system shows the formation of a novel 1:1 molecular complex, and two eutectics on either sides of complex. Thermochemical studies of complex and eutectics have been carried out for various properties such as heat of fusion, entropy of fusion, Jackson's parameters, interfacial energy and excess thermodynamic functions. The formation of molecular complex was also studied by IR, NMR, elemental analysis and UV-Vis absorption spectra. The single crystal of molecular complex was grown and its XRD study confirms the formation of complex and identifies the crystal structure and atomic packing of crystal of complex. Transmission spectra of grown crystal of the complex show 70% transmittance efficiency with cut off wavelength 412 nm. The band gap and refractive index of the crystal of complex have also been studied. (C) 2012 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.jssc.2012.02.019