2,23-Dimethyl-6,7,9,10,12,13,15,16,18,19-decahydro-5,8,11,14,17,20-hexaoxa-1,24-diaza-dibenzo[a,c]cycloeicosene | 76453-08-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,23-Dimethyl-6,7,9,10,12,13,15,16,18,19-decahydro-5,8,11,14,17,20-hexaoxa-1,24-diaza-dibenzo[a,c]cycloeicosene
• 英文别名: 4,27-Dimethyl-8,11,14,17,20,23-hexaoxa-3,28-diazatricyclo[22.4.0.02,7]octacosa-1(24),2(7),3,5,25,27-hexaene
• CAS: 76453-08-2
• 化学式: C₂₂H₃₀N₂O₆
• 分子量: 418.49
• InChiKey: XDKHUSHWAJBAKX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  30
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  81.2
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  2,23-Dimethyl-6,7,9,10,12,13,15,16,18,19-decahydro-5,8,11,14,17,20-hexaoxa-1,24-diaza-dibenzo[a,c]cycloeicosene 在 potassium carbonate 、 间氯过氧苯甲酸 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Barium induced modulation of NIR emission in a neodymium cryptate complex

  摘要：

  复合物[NdL]III 基于冠醚添加的二硝基隐酸盐配体，对 BaII 具有近红外荧光响应。

  DOI：

  10.1039/b612662f
• 作为产物：
  描述：

  3-羟基-6-甲基吡啶 在 potassium tert-butylate 、 lead dioxide 作用下， 以 四氢呋喃 、 苯 为溶剂， 反应 48.0h， 生成 2,23-Dimethyl-6,7,9,10,12,13,15,16,18,19-decahydro-5,8,11,14,17,20-hexaoxa-1,24-diaza-dibenzo[a,c]cycloeicosene
  参考文献：
  名称：

  Rebek, J.; Wattley, R. V., Journal of Heterocyclic Chemistry, 1980, vol. 17, p. 749 - 751

  摘要：

  DOI：

文献信息

• Slow complexation rates of crown ethers: what's taking so long?
  作者：Julius. Rebek、S. V. Luis、L. R. Marshall

  DOI：10.1021/ja00276a054

  日期：1986.8

  /Ma In the latter, octahedral Pt(IV) complex the formerly trans orientation of the carbon ligands has changed to a cis arrangement. IH NMR studies have revealed that the flat p-tolyl group is fixed in a position perpendicularly to the N-Pt-N axis. The mechanistic aspects of oxidative addition reactions of X2 and alkyl and aryl iodides to PtX(NCN) complexes are currently investigated.

  /Ma 在后者中，八面体 Pt(IV) 络合物之前的碳配体的反式取向已变为顺式排列。1H NMR 研究表明，平坦的对甲苯基固定在垂直于 N-Pt-N 轴的位置。目前正在研究 X2 和烷基碘和芳基碘与 PtX(NCN) 配合物的氧化加成反应的机理。
• Allosteric deprogramming of a trinuclear heterometallic helicate
  作者：T Riis-Johannessen、Lindsay P. Harding、John. C. Jeffery、Ryan Moon、Craig R. Rice

  DOI：10.1039/b700539c

  日期：——

  Two multidentate ditopic ligands L1 and L2 which contain both N-donor and crown ether units have been synthesised. The potentially octadentate ligand L1 forms a trinuclear heterometallic double helicate with Cu(I) and Zn(II) ([Zn2Cu(L1)2]5+), whereas L2 forms a tetranuclear heterometallic double helicate with the same metal ions ([Zn2Cu2(L2)2]6+). Both species have been characterised by 1H NMR, ESI-MS and single crystal X-ray crystallography. Reaction of [Zn2Cu2(L2)2]6+ with Ba2+ results in the coordination of the crown ether units giving the simple barium coordinated species [Zn2Cu2(L2)2Ba2]10+. However, reaction of [Zn2Cu(L1)2]5+ with Ba2+ deprograms the ligand and results in the formation of a mixture of species.

  合成了两个含有 N-供体和冠醚单元的多齿二位配体 L1 和 L2。潜在的八齿配体 L1 与 Cu(I) 和 Zn(II) ([Zn2Cu(L1)2]5+) 形成三核异金属双螺旋，而 L2 与相同的金属离子形成四核异金属双螺旋 ([Zn2Cu2( L2)2]6+)。这两种物质均已通过 1H NMR、ESI-MS 和单晶 X 射线晶体学进行了表征。 [Zn2Cu2(L2)2]6+ 与 Ba2+ 的反应导致冠醚单元配位，得到简单的钡配位物种 [Zn2Cu2(L2)2Ba2]10+。然而，[Zn2Cu(L1)2]5+ 与 Ba2+ 的反应会破坏配体的程序并导致形成混合物。
• Five-Coordinate Platinum Olefin Complexes: Synthesis, 1H NMR Investigations, and Crystal Structure of a Platinum .eta.2-Ethylene Crown Ether Complex
  作者：Andreas Gund、Bernhard K. Keppler、Bernhard Nuber

  DOI：10.1021/ic00114a043

  日期：1995.5

  The synthesis of derivatives of the tumor-inhibiting metal complex cisplatin (INN), cis-diamminedichloroplatinum(II), is presently aimed at achieving an improved water-solubility, a slower decomposition rate of the substance to toxic byproducts through shielding of the platinum using bulky groups as done in carboplatin,(1) and an improved membrane permeability through an increased lipophilia of the ligands. High lipophilic and kinetically inert Pt(IV) compounds are good candidates for oral application.(2)We used crown ethers, which, owing to their structure and their good solubility properties both in lipophilic and in hydrophilic media, meet the above mentioned requirements and are therefore suitable constituents for new complexes. Several platinum crown ether complexes are known in the Literature,(3,4) but in these adducts the platinum fragment is only Linked through hydrogen bonds to the macrocycle. We previously reported on a four-coordinate crown ether complex in which the platinum is involved in covalent bonding to the crown,(5) which shows reasonable antitumor activity. Here we describe the synthesis, magnetic properties, and X-ray structure analysis of the first example of a five-coordinate platinum crown ether complex with ethylene as the fifth ligand. The structural properties of this compound are in good agreement with those generally made for the rising number of five-coordinate platinum complexes with olefins and other sterically hindered ligands.(6)
• Rebek, J.; Wattley, R. V., Journal of Heterocyclic Chemistry, 1980, vol. 17, p. 749 - 751
  作者：Rebek, J.、Wattley, R. V.

  DOI：——

  日期：——
• Barium induced modulation of NIR emission in a neodymium cryptate complex
  作者：Jonathan B. Coldwell、Cara E. Felton、Lindsay P. Harding、Ryan Moon、Simon J. A. Pope、Craig R. Rice

  DOI：10.1039/b612662f

  日期：——

  The complex [NdL]III is based upon a crown ether-appended ditopic cryptate ligand and demonstrates a near-infrared fluorescence response to BaII.

  复合物[NdL]III 基于冠醚添加的二硝基隐酸盐配体，对 BaII 具有近红外荧光响应。