3,22-dioxa-11,14,28-triazatetracyclo{22.3.1.O(4,9),O(16,21)}octacosa-1(28),4,6,8,16,18,20,24,26-nonaene | 132097-05-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3,22-dioxa-11,14,28-triazatetracyclo{22.3.1.O(4,9),O(16,21)}octacosa-1(28),4,6,8,16,18,20,24,26-nonaene
• 英文别名: 3,22-Dioxa-11,14,28-triazatetracyclo[22.3.1.04,9.016,21]octacosa-1(28),4,6,8,16,18,20,24,26-nonaene
• CAS: 132097-05-3
• 化学式: C₂₃H₂₅N₃O₂
• 分子量: 375.47
• InChiKey: URGKQWUNGCCBOV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  28
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  55.4
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3,22-dioxa-11,14,28-triazatetracyclo{22.3.1.O(4,9),O(16,21)}octacosa-1(28),4,6,8,16,18,20,24,26-nonaene 、 nickel(II) nitrate 以 甲醇 为溶剂， 生成 3,22-dioxa-11,14,28-triazatetracyclo-{22.3.1.0(4,9),0(16,21)}octacosa-1(28),4,6,8,16,18,20,24,26-nonaene nickel complex
  参考文献：
  名称：

  Exomacrocyclic络合：铜（II）的形态和镍（II）的二苯并-吡啶并-大环3,22二氧杂11,14,28-triazatetracyclo-的配合物[22.3.1.0 4,9，0 16,21 ] octacosa-1（28），4,6,8,16,18,20,24,26-壬二烯

  摘要：

  标题大环的铜（II）和镍（II）配合物在二甲基亚砜中的形态研究表明，金属与配体的比例为1：1和1：2；（1铜：1的晶体结构II）高氯酸盐和1：2的镍（II报道）硝酸盐络合物。

  DOI：

  10.1039/c39880001575
• 作为产物：
  描述：

  2,6-二氯甲基吡啶 在 manganese(II) bromide 、 氢氧化钾 、 sodium tetrahydroborate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 8.0h， 生成 3,22-dioxa-11,14,28-triazatetracyclo{22.3.1.O(4,9),O(16,21)}octacosa-1(28),4,6,8,16,18,20,24,26-nonaene
  参考文献：
  名称：

  Metal-ion selectivity by macrocyclic ligands. Part 1. The interaction of Ni II and Cu II with pyridinyl-derived N3O2 macrocycles; the X-ray structures of a free macrocycle, its endomacrocyclic complexes of Ni II and Cu II and an exomacrocyclic nickel(II) complex

  摘要：

  The interaction of Cu(II) and Ni(II) with two macrocycles L1 and L2, each containing an N3O2 donor set, has been investigated. Spectrophotometric studies in dimethyl sulphoxide reveal the formation of complexes with 1:1 and 1:2 metal:ligand ratios and conductometric studies in the same solvent indicated that all of the complexes were 1:2 electrolytes. Conductometric titration of the 1:1 copper(II) complexes with chloride in each case indicated the formation of a 1:1 electrolyte, presumably through co-ordination of a chloride ion to the central copper of each complex. Similar titration of the nickel(II) complexes gave evidence for the formation of dinuclear species; each of these was postulated to contain a bridging chloride anion. The stability constants of the complexes together with their enthalpies of co-ordination have been determined in 95% methanol. Extraction and related transport experiments were carried out and under the conditions employed Cu(II) was favoured over Ni(II). The X-ray crystal structures of the free macrocycle L1, the 1:1 complexes [CuL1(H2O)][ClO4]2 and [NiL1(l)]l.MeOH, and the 1:2 complex [NiL2(1)(NO3)]NO3.2MeOH have been determined. The metal in [CuL1(H2O)][ClO4]2 is six-co-ordinate and lies within the folded macrocyclic cavity. The donor set comprises the five macrocyclic donor atoms and a water molecule. Overall, the co-ordination sphere corresponds to a restricted tetragonal rhombic arrangement. The complex [NiL1(l)]l.MeOH also has all donors of the macrocycle co-ordinated with an iodide anion occupying the sixth site to yield a distorted-octahedral geometry. The structure of [NiL2(1)(NO3)]NO3.2MeOH shows that the nickel is again six-co-ordinated, to the aliphatic nitrogen atoms from two macrocycles (each showing exo co-ordination) and a bidentate nitrate anion.

  DOI：

  10.1039/dt9910000627

文献信息

• The syntheses of nitrogen-oxygen donor macrocycles containing pyridine ring
  作者：Bin Zhao、Feng Qin Wang、Lai Jin Tian

  DOI：10.1002/jhet.5570380341

  日期：2001.5

  Five new nitrogen-oxygen mixed donor macrocycles have been prepared by condensation of 2,6-bis [(2-formylphenyl)oxymethyl]pyridine with different diamino compounds in hot methanol, followed by a one-pot reduction of the intermediate bis-Schiff base. All the macrocycles were identified by elemental analysis, and ir, uv, and nmr spectroscopy.

  通过在热甲醇中缩合2,6-双[（2-甲酰基苯基）氧基甲基]吡啶与不同的二氨基化合物，制备了五个新的氮-氧混合供体大环化合物，然后一锅还原中间的双席夫碱。所有大环化合物均通过元素分析，红外光谱，紫外光谱和核磁共振光谱法鉴定。
• The solution stability of binary and ternary complexes involving oxaazamacrocyclic ligands
  作者：Pabitra K. Brattacharya、M.Rafique Ullah、Rabah A. Khalil、Simon J. Kitchen、David E. Fenton

  DOI：10.1016/s0277-5387(00)86948-x

  日期：1990.1
• Metal-ion selectivity by macrocyclic ligands. Part 3. The interaction of Mn II and Co II with pyridinyl-derived N3O2 macrocycles; X-ray structures of endomacrocyclic complexes of Mn II and Co II
  作者：Neil A. Bailey、David E. Fenton、Simon J. Kitchen、Terence H. Lilley、Mark G. Williams、Peter A. Tasker、Anthony J. Leong、Leonard F. Lindoy

  DOI：10.1039/dt9910002989

  日期：——

  The interaction of Mn(II) and Co(II) with the macrocycles L1 and L2, each containing an N3O2-donor set, has been investigated. Conductometric titration of the 1:1 Mn(II) complexes with chloride indicated the formation of a 2:1 complex presumably through bridging of a chloride ion. The stability constants of the complexes have been determined in 95% methanol. The X-ray crystal structures of the 1:1 complexes [MnL1Br(EtOH)]ClO4 and [CoL1(NO3)]NO3, have been determined. The metal in [MnL1Br(EtOH)]ClO4 is seven-co-ordinate and lies within the macrocyclic cavity. The donor set comprises the five macrocyclic donor atoms, a bromide anion and an ethanol molecule. Overall, the co-ordination sphere corresponds to a distorted pentagonal-bipyramidal arrangement. The complex [CoL1(NO3)]NO3 also has all donors of the macrocycle co-ordinated together with a nitrate anion. The cobalt is seven-co-ordinated and the co-ordination polyhedron is intermediate between a capped trigonal prism and a pentagonal bipyramid.
• Exomacrocyclic complexation: the speciation of copper(II) and nickel(II) complexes of the dibenzo-pyrido-macrocycle 3,22-dioxa-11,14,28-triazatetracyclo-[22.3.1.04,9,016,21]octacosa-1(28),4,6,8,16,18,20,24,26-nonaene
  作者：Neil A. Bailey、David E. Fenton、Simon J. Kitchen、Peter A. Tasker、Mark G. Williams

  DOI：10.1039/c39880001575

  日期：——

  Speciation studies of copper(II) and nickel(II) complexes of the title macrocycle in dimethyl sulphoxide reveal the presence of 1 : 1 and 1 : 2 metal : ligand ratios; the crystal structures of the 1 : 1 copper(II) perchlorate and the 1 : 2 nickel(II) nitrate complexes are reported.

  标题大环的铜（II）和镍（II）配合物在二甲基亚砜中的形态研究表明，金属与配体的比例为1：1和1：2；（1铜：1的晶体结构II）高氯酸盐和1：2的镍（II报道）硝酸盐络合物。
• Metal-ion selectivity by macrocyclic ligands. Part 1. The interaction of Ni II and Cu II with pyridinyl-derived N3O2 macrocycles; the X-ray structures of a free macrocycle, its endomacrocyclic complexes of Ni II and Cu II and an exomacrocyclic nickel(II) complex
  作者：Neil A. Bailey、David E. Fenton、Simon J. Kitchen、Terence H. Lilley、Mark G. Williams、Peter A. Tasker、Anthony J. Leong、Leonard F. Lindoy

  DOI：10.1039/dt9910000627

  日期：——

  The interaction of Cu(II) and Ni(II) with two macrocycles L1 and L2, each containing an N3O2 donor set, has been investigated. Spectrophotometric studies in dimethyl sulphoxide reveal the formation of complexes with 1:1 and 1:2 metal:ligand ratios and conductometric studies in the same solvent indicated that all of the complexes were 1:2 electrolytes. Conductometric titration of the 1:1 copper(II) complexes with chloride in each case indicated the formation of a 1:1 electrolyte, presumably through co-ordination of a chloride ion to the central copper of each complex. Similar titration of the nickel(II) complexes gave evidence for the formation of dinuclear species; each of these was postulated to contain a bridging chloride anion. The stability constants of the complexes together with their enthalpies of co-ordination have been determined in 95% methanol. Extraction and related transport experiments were carried out and under the conditions employed Cu(II) was favoured over Ni(II). The X-ray crystal structures of the free macrocycle L1, the 1:1 complexes [CuL1(H2O)][ClO4]2 and [NiL1(l)]l.MeOH, and the 1:2 complex [NiL2(1)(NO3)]NO3.2MeOH have been determined. The metal in [CuL1(H2O)][ClO4]2 is six-co-ordinate and lies within the folded macrocyclic cavity. The donor set comprises the five macrocyclic donor atoms and a water molecule. Overall, the co-ordination sphere corresponds to a restricted tetragonal rhombic arrangement. The complex [NiL1(l)]l.MeOH also has all donors of the macrocycle co-ordinated with an iodide anion occupying the sixth site to yield a distorted-octahedral geometry. The structure of [NiL2(1)(NO3)]NO3.2MeOH shows that the nickel is again six-co-ordinated, to the aliphatic nitrogen atoms from two macrocycles (each showing exo co-ordination) and a bidentate nitrate anion.