5-(2-pyridyl-2'-ethyl)-1,5,9-triazanonane | 172101-47-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 5-(2-pyridyl-2'-ethyl)-1,5,9-triazanonane
• 英文别名: bis(3-aminopropyl)(2-(2-pyridyl)ethyl)amine；N'-(3-aminopropyl)-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
• CAS: 172101-47-2
• 化学式: C₁₃H₂₄N₄
• 分子量: 236.36
• InChiKey: JIRNETKFGJBQNH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.62
• 重原子数：
  17.0
• 可旋转键数：
  9.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  68.17
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  5-(2-pyridyl-2'-ethyl)-1,5,9-triazanonane 在 sodium hydroxide 、 sodium ethanolate 作用下， 以 乙醚 、 水 为溶剂， 反应 3.0h， 生成 1-(2-pyridyl-2'-ethyl)-5,9-bis(toluene-p-sulfonyl)-1,5,9-triazacyclododecane
  参考文献：
  名称：

  Synthesis and co-ordination chemistry of the pyridyl pendant-arm azamacrocycles 1-(2-pyridylmethyl)-1,5,9-triazacyclododecane L¹and 1-(2-pyridyl-2′-ethyl)-1,5,9-triazacyclododecane L², with nickel (II), copper(II) and zinc(II). Crystal structures of [Ni(L¹)(O₂NO)]NO₃and [ZnL²][Zn(NO₃)_3.67Cl_0.33]

  摘要：

  The azamacrocyclic ligands 1-(2-pyridylmethyl)-1,5,9-triazacyclodod L(1) and 1-(2-pyridyl-2'-ethyl)-1,5,9-triazacyclododecane L(2) have been prepared, and their complexes with hydrated nickel(II). copper(ir) and zinc(II) nitrates have been isolated. The nickel(II) complexes are high spin and six-co ordinate, whilst C-13 NMR spectroscopy shows that [ZnL(1)(OH2)](2+) exists as a symmetric trigonal-bipyramidal isomer in solution, and [ZnL(2)](2+) exists as a 2:1 mixture of tetrahedral and asymmetric trigonal-bipyramidal isomers. X-Ray crystallography has been used to determine the solid-state structures of the octahedral [NiL(1)(O2NO)](+), and the tetrahedral isomer of [ZnL(2)](2+).

  DOI：

  10.1039/dt9950003659
• 作为产物：
  描述：

  2-(2-氨乙基)吡啶 在 Raney-Ni (50percent suspension in water) sodium hydroxide 、 sodium tetrahydroborate 、 溶剂黄146 作用下， 以 甲醇 为溶剂， 反应 24.0h， 生成 5-(2-pyridyl-2'-ethyl)-1,5,9-triazanonane
  参考文献：
  名称：

  Synthesis and co-ordination chemistry of the pyridyl pendant-arm azamacrocycles 1-(2-pyridylmethyl)-1,5,9-triazacyclododecane L¹and 1-(2-pyridyl-2′-ethyl)-1,5,9-triazacyclododecane L², with nickel (II), copper(II) and zinc(II). Crystal structures of [Ni(L¹)(O₂NO)]NO₃and [ZnL²][Zn(NO₃)_3.67Cl_0.33]

  摘要：

  The azamacrocyclic ligands 1-(2-pyridylmethyl)-1,5,9-triazacyclodod L(1) and 1-(2-pyridyl-2'-ethyl)-1,5,9-triazacyclododecane L(2) have been prepared, and their complexes with hydrated nickel(II). copper(ir) and zinc(II) nitrates have been isolated. The nickel(II) complexes are high spin and six-co ordinate, whilst C-13 NMR spectroscopy shows that [ZnL(1)(OH2)](2+) exists as a symmetric trigonal-bipyramidal isomer in solution, and [ZnL(2)](2+) exists as a 2:1 mixture of tetrahedral and asymmetric trigonal-bipyramidal isomers. X-Ray crystallography has been used to determine the solid-state structures of the octahedral [NiL(1)(O2NO)](+), and the tetrahedral isomer of [ZnL(2)](2+).

  DOI：

  10.1039/dt9950003659

文献信息

• Reactions at the azomethine CN bonds in the nickel(<scp>ii</scp>) and copper(<scp>ii</scp>) complexes of pyridine-containing Schiff-base macrocyclic ligands
  作者：Aida M. Herrera、Ganna V. Kalayda、Jeremy S. Disch、Jeffrey P. Wikstrom、Ivan V. Korendovych、Richard J. Staples、Charles F. Campana、Alexander Y. Nazarenko、Terry E. Haas、Elena V. Rybak-Akimova

  DOI：10.1039/b308557k

  日期：——

  the coordination requirements of the metal ions: the copper(II) underwent a CN double bond shift, forming a more flexible five-coordinate macrocyclic complex, whereas the nickel(II) compound underwent a partial ring-opening hydrolysis, giving rise to a pseudo-octahedral six-coordinate species. The unusual isomerization of the copper(II) complex was accompanied by H/D exchange at CH-bonds, and was facilitated

  在存在铜（II）或镍（II）的情况下，2,6-二羰基吡啶和三脚架四胺三（3-氨基丙基）胺之间的模板缩合产生大环配合物，该配合物包含配位化合物伯胺作为附加的功能组。的导数2,6-二甲酰基吡啶 不稳定 偶氮甲碱 容易受到影响的债券 水 或者 酒精 另外，并以结晶学形式分离出特征 血友病或邻乙基血友病。镍（II）血红素络合物在生成后产生了大环产物减少 和 硼氢化钠，并且两个复合物的结构非常相似 配体构象。的导数2,6-二乙酰基吡啶 形成稳定的席夫碱 大环 具有刚性，近乎平面的结构，其中 偶氮甲碱 键与 吡啶环。加热配合物后消除了空间应变。水–酒精媒体。产物是由金属离子的配位要求决定的：铜（II）经历了C N双键移位，形成了更加灵活的五配位大环络合物，而镍（II）化合物经历了部分开环水解，产生了伪八面体六坐标物种。铜（II）配合物的异常异构化伴随有CH键上的H / D交换，并且通过酒精添加。异构化