3,6,9,17,20,23-hexaaza-29,30-dihydroxy-13,27-dimethyltricyclo[23,3,1,1(11,15)]triaconta-1(28),11,13,15(30),25,26-hexaene | 226714-05-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 3,6,9,17,20,23-hexaaza-29,30-dihydroxy-13,27-dimethyltricyclo[23,3,1,1(11,15)]triaconta-1(28),11,13,15(30),25,26-hexaene
• 英文别名: 13,27-Dimethyl-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaene-29,30-diol
• CAS: 226714-05-2
• 化学式: C₂₆H₄₂N₆O₂
• 分子量: 470.658
• InChiKey: UCVATJGGUUNILO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  34
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  113
• 氢给体数：
  8
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  nickel(II) perchlorate hexahydrate 、 3,6,9,17,20,23-hexaaza-29,30-dihydroxy-13,27-dimethyltricyclo[23,3,1,1(11,15)]triaconta-1(28),11,13,15(30),25,26-hexaene 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  具有N（胺）6 O 2金属结合位点的成核大环化合物的二苯氧桥双核镍（II）配合物：合成，X射线晶体结构和电化学

  摘要：

  通过Ni（ClO 4）2与大环配体H 2 L的反应获得复合物Ni 2 L（ClO 4）2，其中L 2-是具有两个2,6-二（氨基甲基）-4的双核大环-酚酸甲酯实体在氨基氮原子上由相同的两个侧链-（CH 2）2 -NH-（CH 2）2-结合。通过X射线衍射确定配合物Ni 2 L（ClO 4）2的晶体结构。大环采用扭曲构型，每个镍原子的几何形状与N呈方形锥体大环的3 O 2个供体组。由两个酚氧桥接的镍-镍间距为3.092Å，Ni-O-Ni角为100.7（2）°。Ni-O（酚盐）的两个键长分别为2.001（3）和2.016（3）Å。三个Ni–N键距为2.055（4），2.060（5）和2.063（4）Å。配合物的循环伏安图显示了两个可逆的一电子氧化步骤（E 1/2 = 0.835，1.05 V，相对于SCE，Pt / MeCN），形成了Ni（II）–Ni（III）和Ni（III）– Ni（III）物种。

  DOI：

  10.1016/s0020-1693(98)00420-4

文献信息

• Novel macrocyclic heterodinuclear catalase-like model complex CuMnL and CuZnL (L=BDBPH): synthesis, stability and catalytic properties
  作者：Jian Gao、Arthur E Martell、Ramunas J Motekaitis

  DOI：10.1016/s0020-1693(01)00634-x

  日期：2001.12

  The macrocyclic ligand BDBPH was used as a dinuclear chelating ligand to synthesize the heterodinuclear complexes Cu(II)M(II)BDBPH [M(II) = Zn(II) and Mn(IQ. Titration experiments show that different heteronuclear species CuM(II)(OH)n (n = 1-2) co-exist in water solution at a pH range of 7-12. Catalytic experiments reveal that these complex systems can dismutate H2O2 to O-2 effectively in basic water solution. Mechanism studies by means of electronic spectra and ESR show that the active center of these catalysts is a dimer structure. The substrate H2O2 molecules are dismuted through a homo-cleaving pathway. The catalytic activity of Cu(II) can be greatly enhanced by the other phenol bridged metal ions in the same complex molecule. A novel inter- and intra-molecular cooperation mechanism was proposed to illustrate the efficient catalytic process. (C) 2001 Elsevier Science B.V. All rights reserved.
• ——
  作者：W. Yan、C. Ma、J. Wu、W. Zhang、D. Jang

  DOI：10.1023/a:1010111406937

  日期：——

  Crystal of the complex Ni2L (ClO4)(2) was obtained by reaction of Ni(ClO4)(2) and macrocyclic ligand H2L, where L2- is the dinucleating macrocycle with two 2,6-di(aminomethyl)-4-methyl phenolate entities combined by the same two lateral chains, -(CH2)(2)NH(CH2)(2)-, at the amino nitrogens. The thermal decomposition processes of the title complex were studied in a dynamic atmosphere of dry argon using TG-DTG. The kinetic analysis of the first and second thermal decomposition steps were performed via the TG-DTG curves, and the kinetic parameters were obtained from analysis of the TG-DTG curves with integral and differential methods. The most probable kinetic function was suggested by comparison of the kinetic parameters.
• Novel Cu(II)Cd(II) macrocyclic complex that hydrolyzes an activated phosphate diester
  作者：Jian Gao、Arthur E Martell、Joseph Reibenspies

  DOI：10.1016/s0020-1693(02)00694-1

  日期：2002.2

  The dinucleating macrocyclic ligand 3,6,9,17,20,23-hexaaza-29,30-dihydroxy-13,27-dimethyl-tricyelo[23,3,1,1(11.15)] triaconta-1(28),11,13,15(30),25,26,-hexaene(BDBPH) was synthesized from [2+2] condensation between a diethylenetriamine lead(II) mononuclear complex and diformal-p-cresol. By stepwise synthesis, the heterodinuclear Cu(II)Cd(II) complex was obtained. The single crystal was trichnic, space group P1, with cell constants a = 13.2675(10) Angstrom, b = 16.4655(13) Angstrom, c = 17.9502(14) Angstrom, alpha = 87.78(10), beta = 68.69(10), gamma = 74.81(10), V = 3517.6(3) Angstrom and Z = 4. Potentiometric titration reveals that Cu(II)Cd(II)BDBPH-OH species dominate in basic solution from pH 7 to 12. In the hydrolysis of BNP, this dinuclear complex can provide both Lewis acid and base sites to an active phosphate diester in which nucleophilic OH- attacks the substrate to fulfill the hydrolysis cycle. In this system the synergic two functional groups in one catalyst molecule exerted remarkable catalytic activity towards hydrolysis of BNP. (C) 2001 Elsevier Science B.V. All rights reserved.