6,7,8,9,10,11,12,13,14,15,23,24,25,26-tetradecahydrodinaphtho[2,3-b:2',3'-n][1,16,5,12]-dioxadiazacycloicosine | 1465275-89-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 6,7,8,9,10,11,12,13,14,15,23,24,25,26-tetradecahydrodinaphtho[2,3-b:2',3'-n][1,16,5,12]-dioxadiazacycloicosine
• 英文别名: 6,7,8,9,10,11,12,13,14,15,23,24,25,26-Tetradecahydrodinaphtho[2,3-b:2',3'-n][1,16,5,12]dioxadiazacycloicosine；2,7-dioxa-19,26-diazapentacyclo[26.8.0.08,17.010,15.030,35]hexatriaconta-1(36),8,10,12,14,16,28,30,32,34-decaene
• CAS: 1465275-89-1
• 化学式: C₃₂H₃₈N₂O₂
• 分子量: 482.666
• InChiKey: AMGPVIGYNQZMHD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  36
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  42.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6,7,8,9,10,11,12,13,14,15,23,24,25,26-tetradecahydrodinaphtho[2,3-b:2',3'-n][1,16,5,12]-dioxadiazacycloicosine 、 nickel dichloride 以 氘代二甲亚砜 为溶剂， 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：

  dimethyl 3,3'-[butane-1,4-diylbis(oxy)]bis(2-naphthalenecarboxylate) 在 lithium aluminium tetrahydride 、 pyridinium chlorochromate 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 氯仿 为溶剂， 反应 8.0h， 生成 6,7,8,9,10,11,12,13,14,15,23,24,25,26-tetradecahydrodinaphtho[2,3-b:2',3'-n][1,16,5,12]-dioxadiazacycloicosine
  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