(6,14,17-Tris-cyanomethyl-3,6,14,17,23,24-hexaaza-tricyclo[17.3.1.1^8,12]tetracosa-1(22),8(24),9,11,19(23),20-hexaen-3-yl)-acetonitrile | 485323-24-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (6,14,17-Tris-cyanomethyl-3,6,14,17,23,24-hexaaza-tricyclo[17.3.1.1^8,12]tetracosa-1(22),8(24),9,11,19(23),20-hexaen-3-yl)-acetonitrile
• 英文别名: 2-[6,14,17-Tris(cyanomethyl)-3,6,14,17,23,24-hexazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaen-3-yl]acetonitrile
• CAS: 485323-24-8
• 化学式: C₂₆H₃₀N₁₀
• 分子量: 482.591
• InChiKey: SQNLJEDXKTYCGF-UHFFFAOYSA-N

物化性质

• 沸点：
  700.9±60.0 °C(Predicted)
• 密度：
  1.154±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  36
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  134
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  cobalt(II) perchlorate hydrate 、 (6,14,17-Tris-cyanomethyl-3,6,14,17,23,24-hexaaza-tricyclo[17.3.1.1^8,12]tetracosa-1(22),8(24),9,11,19(23),20-hexaen-3-yl)-acetonitrile 以 乙腈 为溶剂， 以62%的产率得到
  参考文献：
  名称：

  Gonzalez, Sonia; Valencia, Laura; Bastida, Rufina, Journal of the Chemical Society Dalton Transactions, 2002, # 18, p. 3551 - 3558

  摘要：

  DOI：
• 作为产物：
  描述：

  3,6,14,17,23,24-hexaazatricyclo[17.3.1.1^8,12]tetracosa-1(23),8,10,12(24),19,21-hexaene 、 溴乙腈 在 sodium carbonate 作用下， 以 乙腈 为溶剂， 反应 6.0h， 以56%的产率得到(6,14,17-Tris-cyanomethyl-3,6,14,17,23,24-hexaaza-tricyclo[17.3.1.1^8,12]tetracosa-1(22),8(24),9,11,19(23),20-hexaen-3-yl)-acetonitrile
  参考文献：
  名称：

  Gonzalez, Sonia; Valencia, Laura; Bastida, Rufina, Journal of the Chemical Society Dalton Transactions, 2002, # 18, p. 3551 - 3558

  摘要：

  DOI：

文献信息

• Mn(II) azamacrocyclic bromide complexes with different nuclearities
  作者：Laura Valencia、Paulo Pérez-Lourido、Rufina Bastida、Alejandro Macías

  DOI：10.1016/j.jorganchem.2009.02.026

  日期：2009.6

  The coordination behaviour of a series of pyridyl azamacrocyclic ligands, some of them containing cyanomethyl and cyanoethyl pendant-arms, towards Mn(II) ion was studied. All the complexes were characterized by microanalysis, LSI mass spectrometry, IR, UV-Vis spectroscopy and magnetic measurements. Crystal structures of [MnL1][MnBr4] (1), [MnL3][MnBr4] center dot 2CH(3)CN (3), [(Mn2LBr4)-Br-5] center dot 2CH(3)CN (5) and [(Mn2LBr4)-Br-6] (6) complexes have been determined. The X-ray studies show the presence of an ionic mixed octahedral-tetrahedral complex for 1 and 2, with the manganese ion of the cation complex, endomacrocyclicly coordinated by the six nitrogen donor atoms from the macrocyclic backbone in a distorted octahedral geometry. Instead, the complexes 5 and 6 are dinuclear, and both manganese ions are coordinated by one pyridinic and two amine nitrogen atoms from the macrocyclic backbone and two bromide ions, being the geometry around the metal better described as distorted square pyramidal. In all cases, the nitrile pendant-arms do not show coordination to the metal ion. (C) 2009 Elsevier B. V. All rights reserved.
• Synthesis and crystal structures of Cd(II) complexes with di-pyridyl hexa-azamacrocyclic ligands having cyano pendant-arms
  作者：Laura Valencia Matarranz、Rufina Bastida、Alejandro Macías、Paulo Pérez-Lourido

  DOI：10.1016/j.poly.2008.08.013

  日期：2008.11

  The coordination capability of two pendant-armed azamacrocyclic ligands with cyanoethyl L-1 and cyanomethyl L-2 pendant groups towards cadmium nitrate and perchlorate salts was achieved. All metal complexes were characterized by elemental analysis, LSI-MS, IR, conductivity measurements and H-1 NMR spectroscopy. The X-ray crystal structure of the complexes [CdL1](NO3)(2), [CdL1](ClO4)(2)center dot CH3CN, and [CdL2](ClO4)(2)center dot H2O were also determined. All the complexes are mononuclear with the metal ion in a distorted octahedral environment. The pendant groups are not coordinated to the metal due the linear nature of the cyano groups: however, different interactions between nitrate ions, nitrile groups and pyridine rings from the macrocycle have been observed in the Cd(II) complexes with L-1. (C) 2008 Elsevier Ltd. All rights reserved.