3,18,21-24,39-pentaoxa-11,32,45-triazahexacyclo[39.3.1.O(4,9).O(12,17).O(25,30).O(38,39)]pentatetraconta-1,4(9),5,7,10,12(17),13,15,25(30),26,28,31,33(38),34,36,41(45),42-pentadecaene | 200212-90-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 3,18,21-24,39-pentaoxa-11,32,45-triazahexacyclo[39.3.1.O(4,9).O(12,17).O(25,30).O(38,39)]pentatetraconta-1,4(9),5,7,10,12(17),13,15,25(30),26,28,31,33(38),34,36,41(45),42-pentadecaene
• 英文别名: 3,18,21,24,39-pentaoxa-11,31,45-triazahexacyclo[39,3,1, O(4,9), O(12,17), O(25,30), O(33,39)]-penta tetraconta-1,4 (9), 5,7,10,12(17),13,15,25(30),26,28,31,33(38),34,36,41(45),42-pentadecaene；3,18,21,24,39-Pentaoxa-11,31,45-triazahexacyclo[39.3.1.04,9.012,17.025,30.033,38]pentatetraconta-1(45),4,6,8,12,14,16,25,27,29,33,35,37,41,43-pentadecaene；3,18,21,24,39-pentaoxa-11,31,45-triazahexacyclo[39.3.1.04,9.012,17.025,30.033,38]pentatetraconta-1(45),4,6,8,12,14,16,25,27,29,33,35,37,41,43-pentadecaene
• CAS: 200212-90-4
• 化学式: C₃₇H₃₇N₃O₅
• 分子量: 603.718
• InChiKey: RGSIQMHQXYYQKL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  45
• 可旋转键数：
  0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  83.1
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  lutetium(III) nitrate hydrate 、 3,18,21-24,39-pentaoxa-11,32,45-triazahexacyclo[39.3.1.O(4,9).O(12,17).O(25,30).O(38,39)]pentatetraconta-1,4(9),5,7,10,12(17),13,15,25(30),26,28,31,33(38),34,36,41(45),42-pentadecaene 以 甲醇 为溶剂， 以31%的产率得到
  参考文献：
  名称：

  Complexes of lead(II) and lanthanide(III) ions with two novel 26-membered-imine and -amine macrocycles derived from 2,6-bis(2-formylphenoxymethyl)pyridine

  摘要：

  Macrocyclic Schiff-base lanthanide(III) complexes, [LnL(1)][X](3) (X=NO3-, Ln=La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Ho, Er, Tm, Yb or Lu; X = ClO4-, Ln=La, Ce, Pr, Nd, Sm, Eu, Tb, Dy or Er) and the complex [PbL1][ClO4](2) have been prepared by cyclocondensation of 2,6-bis(2-formylphenoxymethyl)pyridine and 1,5-bis(2-aminophenoxy)-3-oxapentane in the presence of the appropriate metal salt as a template agent. The Schiff-base macrocycle L-1 is also formed in the absence of the metal ion. Treatment of L-1 with NaBH4 in methanol gave the di-amine macrocycle L-2. The reactions of lanthanide(III) ions with L-2 were also investigated. (C) 1998 Elsevier Science S.A.

  DOI：

  10.1016/s0020-1693(97)05552-7

文献信息

• Coordination chemistry of copper(II) with oxaaza macrocyclic ligands. Crystal structure of a dinuclear tetramer copper(II) complex
  作者：Carlos Lodeiro、Rufina Bastida、Emilia Bertolo、Alejandro Macı́as、Adolfo Rodrı́guez

  DOI：10.1016/s0277-5387(03)00332-2

  日期：2003.7

  different oxaaza macrocyclic ligands (L 1 / L 8 )have beenprepared and characterised. Complexes with the diiminic ligands L 1 / L 6 have been obtained by template condensation of theappropriate dialdehyde and diamine precursors; the reduced L 7 and L 8 macrocycles have been synthesised using a direct route. Theoverall geometry and bonding mode have been deduced on the basis of elemental analysis data, IR, FAB

  摘要制备并表征了一系列具有八种不同的oxaaza大环配体（L 1 / L 8）的硝酸铜和高氯酸铜（II）配合物。通过适当的二醛和二胺前体的模板缩合，获得了具有二亚氨基配体L 1 / L 6的配合物。减少的L 7和L 8大环已经使用直接途径合成。根据元素分析数据，IR，FAB，UV / Vis光谱，循环伏安法以及电导率和磁化率测量，推导了总体几何形状和键合模式。用15％乙酸处理复合物[L 6 Cu]（ClO 4）2 / 5H 2 O的乙腈溶液后，分离出深蓝色的单晶，这是二次反应的结果，并表征为新的双核四聚体铜II）复杂，分子式为C 13 H 28 ClCu 2 N 3 O 10的化合物。＃2003 Elsevier Science Ltd.保留所有权利。关键字：铜配合物；模板合成；直接合成；席夫碱; Oxaaza大环
• Manganese(II), Cobalt(II), and Nickel(II) Perchlorate Complexes Containing N, O Donor Macrocyclic Ligands
  作者：Carlos Lodeiro、Jose Luis Capelo、Emilia Bértolo、Rufina Bastida

  DOI：10.1002/zaac.200400087

  日期：2004.7

  Mononuclear macrocyclic complexes of manganese(), cobalt() and nickel() perchlorate using 10 different oxaazamacro- cyclic ligands (L 1 L 10 ) have been prepared and characterized. The complexation reactions with the diiminic ligands were ob- tained by template condensation of the appropriate dialdehyde and diamine precursors; the reduced macrocycle complexes were syn- thesized using a direct

  使用 10 种不同的氧氮杂大环配体 (L 1 L 10 ) 制备并表征了高氯酸锰 ()、钴 () 和镍 () 的单核大环配合物。与二亚胺配体的络合反应是通过适当的二醛和二胺前体的模板缩合获得的。使用直接途径合成还原的大环化合物。
• Metal complexes with four macrocyclic ligands derived from 2,6-bis(2-formylphenoxymethyl)pyridine and 1,7-bis(2′-formylphenyl)-1,4,7-trioxaheptane
  作者：Carlos Lodeiro、Rufina Bastida、Emilia Bértolo、Alejandro Macı́as、Adolfo Rodrı́guez

  DOI：10.1016/s0020-1693(02)01172-6

  日期：2003.1

  New series of [1+1] Schiff-base macrocyclic complexes have been prepared by reaction between 1,5-bis(2-aminophenoxy)-3-oxapentane and 2,6-bis(2-formylphenoxymethyl)pyridine (L-1) or 1,7-bis(2'-formylphenyl)-1,4,7-trioxaheptane (L-3), using the metal salts of CO(II), Ni(II), Ag(I), Zn(II) or Pb(II) as template agents. Treatment of both diiminic ligands with NaBH4 gives the corresponding reduced macrocycles L-2 and L-4; the complexation capacity of both reduced ligands towards Co(II), Ni(II), Ag(I), Zn(II) and Pb(II) ions has been also investigated. The complexes have been characterised by elemental analyses, molar conductivity, mass spectrometry, IR, UV-Vis and H-1 NMR spectroscopy, diffuse reflectance and magnetic measurements. (C) 2002 Elsevier Science B.V. All rights reserved.
• Complexes of lead(II) and lanthanide(III) ions with two novel 26-membered-imine and -amine macrocycles derived from 2,6-bis(2-formylphenoxymethyl)pyridine
  作者：Carlos Lodeiro、Rufina Bastida、Andrés de Blas、David E. Fenton、Alejandro Macías、Adolfo Rodríguez、Teresa Rodríguez-Blas

  DOI：10.1016/s0020-1693(97)05552-7

  日期：1998.1

  Macrocyclic Schiff-base lanthanide(III) complexes, [LnL(1)][X](3) (X=NO3-, Ln=La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Ho, Er, Tm, Yb or Lu; X = ClO4-, Ln=La, Ce, Pr, Nd, Sm, Eu, Tb, Dy or Er) and the complex [PbL1][ClO4](2) have been prepared by cyclocondensation of 2,6-bis(2-formylphenoxymethyl)pyridine and 1,5-bis(2-aminophenoxy)-3-oxapentane in the presence of the appropriate metal salt as a template agent. The Schiff-base macrocycle L-1 is also formed in the absence of the metal ion. Treatment of L-1 with NaBH4 in methanol gave the di-amine macrocycle L-2. The reactions of lanthanide(III) ions with L-2 were also investigated. (C) 1998 Elsevier Science S.A.