3,3'-[butane-1,4-diylbis(oxy)]bis(2-naphthalenecarbaldehyde) | 1465275-92-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 3,3'-[butane-1,4-diylbis(oxy)]bis(2-naphthalenecarbaldehyde)
• 英文别名: 3-[4-(3-formylnaphthalen-2-yl)oxybutoxy]naphthalene-2-carbaldehyde
• CAS: 1465275-92-6
• 化学式: C₂₆H₂₂O₄
• 分子量: 398.458
• InChiKey: SLHAGNVRUFOXQL-UHFFFAOYSA-N

物化性质

• 熔点：
  195-196 °C
• 沸点：
  647.5±40.0 °C(predicted)
• 密度：
  1.233±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  30
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3,3'-[butane-1,4-diylbis(oxy)]bis(2-naphthalenecarbaldehyde) 以 氘代二甲亚砜 、 乙醇 、 氯仿 为溶剂， 反应 2.5h， 生成
  参考文献：
  名称：

  Naphthaldehyde-derived ligands: synthesis and their Ni(II) ion complexation

  摘要：

  Three novel diazacrown ether ligands, namely 17-, 18-, and 20-membered O2N2-donor macrocycles derived from 3,3'-[butane-1,4-diylbis(oxy)]bis(2-naphthalenecarbaldehyde), were prepared and characterized by H-1 and C-13 NMR spectroscopy and mass spectra. Their host-guest interaction with Ni(II) was studied in DMSO-d (6) using H-1 NMR spectroscopy. The stoichiometry of the complex in each case in the concentration range examined was determined to be 1:1 using the continuous variation method (Job's plot). The 17-membered O2N2-donor macrocycle in which the two nitrogen atoms are tethered by three methylene units binds Ni(II) more strongly than the other two macrocycles do.

  DOI：

  10.1007/s00706-013-1079-3
• 作为产物：
  描述：

  2-羟基-3-萘甲酸 在 lithium aluminium tetrahydride 、 硫酸 、 potassium carbonate 、 pyridinium chlorochromate 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 31.5h， 生成 3,3'-[butane-1,4-diylbis(oxy)]bis(2-naphthalenecarbaldehyde)
  参考文献：
  名称：

  Naphthaldehyde-derived ligands: synthesis and their Ni(II) ion complexation

  摘要：

  Three novel diazacrown ether ligands, namely 17-, 18-, and 20-membered O2N2-donor macrocycles derived from 3,3'-[butane-1,4-diylbis(oxy)]bis(2-naphthalenecarbaldehyde), were prepared and characterized by H-1 and C-13 NMR spectroscopy and mass spectra. Their host-guest interaction with Ni(II) was studied in DMSO-d (6) using H-1 NMR spectroscopy. The stoichiometry of the complex in each case in the concentration range examined was determined to be 1:1 using the continuous variation method (Job's plot). The 17-membered O2N2-donor macrocycle in which the two nitrogen atoms are tethered by three methylene units binds Ni(II) more strongly than the other two macrocycles do.

  DOI：

  10.1007/s00706-013-1079-3