1,15-diaza-3,4:12,13-dibenzo-5,8,11-trioxabicyclo<13,3,1>nonadecane | 221135-73-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,15-diaza-3,4:12,13-dibenzo-5,8,11-trioxabicyclo<13,3,1>nonadecane
• 英文别名: 1,15-diaza-3,4:12,13-dibenzo-5,8,11-trioxabicyclo[13.3.1]nonadecane；9,12,15-Trioxa-1,23-diazatetracyclo[21.3.1.03,8.016,21]heptacosa-3,5,7,16,18,20-hexaene
• CAS: 221135-73-5
• 化学式: C₂₂H₂₈N₂O₃
• 分子量: 368.476
• InChiKey: VFCHHHZQWGESMR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  27
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  34.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  三甲基铝 、 1,15-diaza-3,4:12,13-dibenzo-5,8,11-trioxabicyclo<13,3,1>nonadecane 以 甲苯 为溶剂， 以90%的产率得到(Me3Al)(1,15-diaza-3,4:12,13-dibenzo-5,8,11-trioxabicyclo[13,3,1]nonadecane)(AlMe2)2(AlMe3)(μ-O)
  参考文献：
  名称：

  An unusual reaction of Me3Al with the macrobicyclic ligand C22H28N2O3 (C22H28N2O31,15-diaza-3,4:12,13-dibenzo-5,8,11-trioxabicyclo[13,3,1]nonadecane)

  摘要：

  The reaction of AlMe3 with the macrobicyclic ligand 1,15-diaza-3,4:12,13-dibenzo-5,8,11-trioxabicyclo[13,3,1]nonadecane (C22H28N2O3) in a 4:1 ratio in the presence of a trace of water resulted in the formation of a novel tetranuclear organoaluminum complex (Me3Al)(C22H28N2O3)(AlMe2)(2)(AlMe3)(mu(3)-O) in a nearly quantitative yield. The complex has been characterized by H-1-NMR, EI mass spectra and elemental analyses. A single crystal X-ray diffraction study reveals a mu(3)-oxygen atom bridging three different alkyl aluminum centers in a trigonal planar geometry, and the fourth aluminum center is bonded to the ether oxygen of the macrobicycle with a dative bond length. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(98)00894-8
• 作为产物：
  描述：

  1,5-bis(benzaldehydeoxy)-3-oxopentane 在 Sodium tetraborate decahydrate 、 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 0.08h， 生成 1,15-diaza-3,4:12,13-dibenzo-5,8,11-trioxabicyclo<13,3,1>nonadecane
  参考文献：
  名称：

  An unusual reaction of Me3Al with the macrobicyclic ligand C22H28N2O3 (C22H28N2O31,15-diaza-3,4:12,13-dibenzo-5,8,11-trioxabicyclo[13,3,1]nonadecane)

  摘要：

  The reaction of AlMe3 with the macrobicyclic ligand 1,15-diaza-3,4:12,13-dibenzo-5,8,11-trioxabicyclo[13,3,1]nonadecane (C22H28N2O3) in a 4:1 ratio in the presence of a trace of water resulted in the formation of a novel tetranuclear organoaluminum complex (Me3Al)(C22H28N2O3)(AlMe2)(2)(AlMe3)(mu(3)-O) in a nearly quantitative yield. The complex has been characterized by H-1-NMR, EI mass spectra and elemental analyses. A single crystal X-ray diffraction study reveals a mu(3)-oxygen atom bridging three different alkyl aluminum centers in a trigonal planar geometry, and the fourth aluminum center is bonded to the ether oxygen of the macrobicycle with a dative bond length. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(98)00894-8

文献信息

• New Macrocyclic Ligands. X. 'Reinforced' Single-Ring and Three-Ring Systems Derived from a Common Series of O2N2- and O3N2-Macrocyclic Precursors
  作者：Tae-Ho Ahn、Jeong Kim、Jun Wang、Leonard F. Lindoy

  DOI：10.1071/ch99185

  日期：——

  The synthesis of new ‘reinforced’ O2N2- and O3N2-donor single macrocycles together with isomeric three-ring products is described. The new derivatives, which respectively incorporate intra- and inter-ring bridges between nitrogen donor atoms, were obtained on reaction of the parent membered macrocycles with 1,3-dibromopropane (or, in the case of the monomeric ‘reinforced’ rings, also 1,2-dibromoethane).

  合成新的 "强化 和 O3N2 单大环链 以及异构三环产物的合成。这些新衍生物 在氮供体原子之间分别加入了环内桥和环间桥。 供体原子之间分别含有环内桥和环间桥的新衍生物，是母成员大环与 1,3-二溴丙烷（或者，在单体 "加强 "环的情况下 1,2-二溴乙烷）反应后得到。