| 172042-39-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 172042-39-6
• 化学式: C₂₂H₂₅N₃NiO₇S
• 分子量: 534.212
• InChiKey: IBKZKKBKKFEXOD-SGSJWNLESA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  、 sodium perchlorate 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  专为电化学识别设计的异核大环化合物

  摘要：

  本文介绍了一系列具有两个不同络合腔的氧化还原活性离子载体的电化学识别特性：与Ni II，Cu II或Fe III络合的席夫碱配体并由可变大小的柔性聚氧乙烯链锁定。它们的电化学识别行为通过新的循环伏安信号的出现或在冠状醚样部分被碱金属和碱土金属阳离子，铵阳离子和质子化的多巴胺络合后逐渐进行的氧化还原电位位移来体现。UV-vis和FAB-MS实验证实了这些受体与被测阳离子之间形成了络合物。初步结果表明，通过与含有硫醚基团的受体反应而修饰的金电极表现出与均相溶液相似的电化学识别特性。

  DOI：

  10.1016/s0013-4686(01)00482-0
• 作为产物：
  描述：

  5-methylthio-13,16,19,22-tetraoxa-3,4,6-triazatricyclo[21.3.1.1(8,12)]octacosa-1(27),2,4,6,8,,10,12(28),23,25-nonaene-27,28-diolato(2-)[N(3),N(6),O(27),O(28)]nickelbarium(2+) bis(trifluoromethanesulfonate) 在 硫酸亚氨脲 作用下， 以 水 为溶剂， 以50%的产率得到
  参考文献：
  名称：

  Reetz, Manfred T.; Arion, Vladimir B.; Trueltzsch, Rainer, Chemische Berichte, 1995, vol. 128, # 11, p. 1089 - 1094

  摘要：

  DOI：

文献信息

• Synthesis and structure of metallomacrocycles based on isothiosemicarbazides
  作者：Manfred T. Reetz、Vladimir B. Arion、Richard Goddard、Yuri A. Simonov、Victor Ch. Kravtsov、Janusz Lipkowski

  DOI：10.1016/0020-1693(95)04661-r

  日期：1995.10

  New isothiosemicarbazide-based heteronucleating ligands have been synthesised by Ba2+-templated (1:1) macrocyclisation of the poly-etherdialdehydes,3,3'-(3,6-dioxaoctane-1,8-diyldioxy)bis (2-hydroxybenzaldehyde) and 3,3'-(3,6,9-trioxaundecane-1,11-diyldioxy)bis(2-hydroxybenzaldehyde), by using S-methylisothiosemicarbazide as the diamine building block. Thus, the linear polyether dialdehydes (2-hydroxybenzaldehyde-3-yl)-O-(CH2CH2O)(n)-(3-yl-2-hydroxybenzaldehyde), with n=3 and 4, react with S-methylisothiosemicarbazide in the presence of Ba(CF3SO3)(2) and Ni(CH3COO)(2) . 4H(2)O to give two nickel/barium complexes 5 and 6, the crystal structures of which are described. 5: triclinic, , a=9.886(3), b=12.376(4), c=13.845(6) Angstrom, alpha=73.97(3), beta=88.58(3), gamma=83.26(3)degrees, Z=1; 6: triclinic, , a=10.767(2), b=13.221(2), c=15.986(2) Angstrom, alpha=102.57(1), beta=101.13(1), gamma=109.91 (1)degrees, Z=2. Treatment of these complexes with an aqueous solution of guanidinium sulfate yields the respective Ba free metallomacrocycles. The crystal structure of one of these (3 . H2O) has been determined. 3 . H2O: triclinic, , a=8.106(3), b=11.836(4), c=13.174(4) Angstrom, alpha=88.22(3), beta=76.64(3), gamma=70.30(3)degrees, Z=2. Its geometry is compared with its parent compound 5. It reveals that coordination of the Ba2+ cation (0.6 Angstrom above the mean plane of the O atoms) has little influence on the conformation of the macrocycle. The polyether ring in the two Ba complexes differs in size yet the Ba ... Ni distances are remarkably similar (3.664(5) versus 3.723(3) Angstrom) suggesting that the two metal atoms although not bonding may be touching.