2,5,8-trioxa-16,20-diazatricyclo[20.4.0.0(9,14)]hexacosa-9,11,13,15,20,22,24,26(1)-octaene | 106825-28-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,5,8-trioxa-16,20-diazatricyclo[20.4.0.0(9,14)]hexacosa-9,11,13,15,20,22,24,26(1)-octaene
• 英文别名: 2,5,8-Trioxa-16,20-diazatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,15,20,22,24-octaene；2,5,8-trioxa-16,20-diazatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,15,20,22,24-octaene
• CAS: 106825-28-9
• 化学式: C₂₁H₂₄N₂O₃
• 分子量: 352.433
• InChiKey: RLQKXUYSIIABQB-UHFFFAOYSA-N

物化性质

• 沸点：
  541.9±50.0 °C(Predicted)
• 密度：
  1.12±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  26
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  52.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2,5,8-trioxa-16,20-diazatricyclo[20.4.0.0(9,14)]hexacosa-9,11,13,15,20,22,24,26(1)-octaene 在 Sodium tetraborate decahydrate 、 sodium tetrahydroborate 作用下， 生成 3,4,6,7,15,16,17,18,19,20,21-undecahydro-2,5,8-trioxa-16,20-diazatricyclo[20.4.0.0^9,14]hexacosa-9,11,13,22,24,26(1)-hexaene
  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 、 1,3-丙二胺 以 四氢呋喃 为溶剂， 生成 2,5,8-trioxa-16,20-diazatricyclo[20.4.0.0(9,14)]hexacosa-9,11,13,15,20,22,24,26(1)-octaene
  参考文献：
  名称：

  具有两个膦酸二烷基酯的双-C-枢轴大环的合成，光谱性质和立体化学。

  摘要：

  含有二甲基（1a，2a）或膦酸二乙酯（1b，2b）的Bis-C-pivot大环是通过将亚磷酸二甲酯或亚磷酸二乙酯添加到相应的二苯并双亚氨基冠醚中的两个-CH = N键上而制备的（1和2）。Bis-C-pivot大环具有两个等效的立体异构中心，从而产生非对映异构体（内消旋和外消旋体）。通过元素分析，FTIR，MS，TGA，DSC和NMR测量来表征结构。通过分析化学位移，信号强度和分裂，对化合物2a和2b的分离的内消旋形式以及化合物1a和1b的内消旋和外消旋形式进行了（1）H，（13）C和（31）P NMR分配图案以及DEPT和2D HETCOR NMR技术。热分析和（1）1 H NMR表明化合物1a的结晶形式含有等摩尔量的结晶水。

  DOI：

  10.1016/j.saa.2011.06.034

文献信息

• 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)
  作者：Qun Zhao、Hong-Sui Sun、Xiao-Zeng You

  DOI：10.1016/s0022-328x(98)00894-8

  日期：1999.1

  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.
• Syntheses, spectroscopic properties and stereochemistry of bis-C-pivot macrocycles with two dialkyl phosphonate groups
  作者：Selen Bilge、Zeynel Kılıç、David B. Davies

  DOI：10.1016/j.saa.2011.06.034

  日期：2011.10

  Bis-C-pivot macrocycles containing dimethyl (1a, 2a) or diethyl phosphonate (1b, 2b) groups have been prepared by adding dimethyl or diethyl phosphite to two -CH=N bonds in corresponding dibenzo-bis-imino crown ethers (1 and 2). Bis-C-pivot macrocycles possess two equivalent stereogenic centres giving rise to diastereoisomers (meso and racemate). The structures were characterized by elemental analysis

  含有二甲基（1a，2a）或膦酸二乙酯（1b，2b）的Bis-C-pivot大环是通过将亚磷酸二甲酯或亚磷酸二乙酯添加到相应的二苯并双亚氨基冠醚中的两个-CH = N键上而制备的（1和2）。Bis-C-pivot大环具有两个等效的立体异构中心，从而产生非对映异构体（内消旋和外消旋体）。通过元素分析，FTIR，MS，TGA，DSC和NMR测量来表征结构。通过分析化学位移，信号强度和分裂，对化合物2a和2b的分离的内消旋形式以及化合物1a和1b的内消旋和外消旋形式进行了（1）H，（13）C和（31）P NMR分配图案以及DEPT和2D HETCOR NMR技术。热分析和（1）1 H NMR表明化合物1a的结晶形式含有等摩尔量的结晶水。