dimethyl 3,3'-[butane-1,4-diylbis(oxy)]bis(2-naphthalenecarboxylate) | 1465275-90-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: dimethyl 3,3'-[butane-1,4-diylbis(oxy)]bis(2-naphthalenecarboxylate)
• 英文别名: methyl 3-[4-(3-methoxycarbonylnaphthalen-2-yl)oxybutoxy]naphthalene-2-carboxylate
• CAS: 1465275-90-4
• 化学式: C₂₈H₂₆O₆
• 分子量: 458.511
• InChiKey: HMCYHRHUKHBYMO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  34
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  71.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  dimethyl 3,3'-[butane-1,4-diylbis(oxy)]bis(2-naphthalenecarboxylate) 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 以75%的产率得到3,3'-[butane-1,4-diylbis(oxy)]bis(2-naphthalenemethanol)
  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 硫酸 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 26.0h， 生成 dimethyl 3,3'-[butane-1,4-diylbis(oxy)]bis(2-naphthalenecarboxylate)
  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