5,6,5',6'-tetraethyl-[3,3']bi[[1,2,4]triazinyl] | 95537-77-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: 5,6,5',6'-tetraethyl-[3,3']bi[[1,2,4]triazinyl]
• 英文别名: bis-3,3'-(5,6-diethyl-1,2,4-triazine)；Et4dt；5,5',6,6'-Tetraethyl-3,3'-bi-1,2,4-triazine；3-(5,6-diethyl-1,2,4-triazin-3-yl)-5,6-diethyl-1,2,4-triazine
• CAS: 95537-77-2
• 化学式: C₁₄H₂₀N₆
• 分子量: 272.353
• InChiKey: IZPIZGIRFBNFJT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  77.3
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  dichlorobis(dimethyl sulfoxide)platinum(II) 、 5,6,5',6'-tetraethyl-[3,3']bi[[1,2,4]triazinyl] 以 甲醇 为溶剂， 以67%的产率得到dichloro(bis-3,3'-(5,6-diethyl-1,2,4-triazine))platinum
  参考文献：
  名称：

  被忽视的双齿sp2 N供体载体配体与三嗪氮孤对：铂配合物逆向顺铂鸟嘌呤核苷加成基。

  摘要：

  鸟嘌呤碱基衍生物绕Pt-N7键快速旋转导致关键DNA内链GG交联模型的流动行为，从而导致Pt（II）药物具有抗癌活性（G =脱氧鸟苷）。此行为阻碍了LPtG2模型的表征（L =一个二齿或两个顺式-不相同的载体配体； G =没有被磷酸二酯基团连接的鸟嘌呤衍生物）。我们已经检查了G = 5'-和3'-GMP和L = sp（2）N-供体双齿载体配体[5,5'-二甲基-2,2'-联吡啶（5,5 '-Me2bipy），3-（4'-甲基吡啶-2'-基）-5,6-二甲基-1,2,4-三嗪）（MepyMe2t）和bis-3,3'-（5,6-二烷基-1,2,4-三嗪）（R4dt）]。NMR光谱学提供了确凿的证据表明这些LPt（5' -GMP）2复合物以头对尾（HT）和头对头（HH）构象异构体的互变混合物形式存在。对于给定的G，围绕LPtG2模型的Pt-N7键的G碱基旋转速率按Me4dt> Et4dt> MepyMe2t>

  DOI：

  10.1021/ic800836t

文献信息

• Synthesis, structure, and redox states of homoleptic d-block metal complexes with bis-1,2,4-triazin-3-yl-pyridine and 1,2,4-triazin-3-yl-bipyridine extractants
  作者：Michael G.B. Drew、Mark R.St.J. Foreman、Andreas Geist、Michael J. Hudson、Frank Marken、Virginia Norman、Michael Weigl

  DOI：10.1016/j.poly.2005.09.030

  日期：2006.3

  it has been established that triazinyl bipyridines (hemi-BTPs) and bis-triazinyl pyridines (BTPs), ligands which are currently being investigated as possible ligands for the separation of actinides from lanthanides in nuclear waste, are able to form homoleptic complexes with first row transition metals such as cobalt(IT), copper(II), iron(II), manganese(II), nickel(II) and zinc(II). The metal complexes exhibit six-co-ordinate octahedral structures and redox states largely analogous to those of the related terpyridine complexes. The reactivity of the different redox states of cobalt bis-hemi-BTP complex in aqueous environments has been studied with two-phase electrochemistry by immobilisation of the essentially water-insoluble metal complexes on graphite electrodes and the immersion of this modified electrode in an aqueous electrolyte.It was found that redox potentials for the metal-centred reactions were pH-independent whereas the potentials for the ligand-centred reactions were strongly pH-dependent. The reductive degradation of these complexes has been investigated by computational methods. Solvent extraction experiments have been carried out for a range of metals and these show that cobalt(II) and nickel(II) as well as palladium(II), cadmium(II) and lead(II) were all extracted with the ligands 1e and 2c with higher distribution ratios that was observed for americium(III) under the same conditions. The implications of this result for the use of these ligands to separate actinides from nuclear waste are discussed. (c) 2005 Elsevier Ltd. All rights reserved.
• Neglected Bidentate sp² N-Donor Carrier Ligands with Triazine Nitrogen Lone Pairs: Platinum Complexes Retromodeling Cisplatin Guanine Nucleobase Adducts
  作者：Vidhi Maheshwari、Patricia A. Marzilli、Luigi G. Marzilli

  DOI：10.1021/ic800836t

  日期：2008.10.20

  (MepyMe2t)Pt(5'-GMP)2. Although O6-O6 clashes involving the two cis G bases favor the HT over the HH arrangement for most LPtG2-type complexes, the HH conformer of (R4dt)Pt(5'-GMP)2 adducts has a high abundance (approximately 50%). We attribute this high abundance to a reduction in O6-O6 steric clashes permitted by the overall low steric effects of R4dt ligands. Under the reaction conditions used, 3'-GMP forms

  鸟嘌呤碱基衍生物绕Pt-N7键快速旋转导致关键DNA内链GG交联模型的流动行为，从而导致Pt（II）药物具有抗癌活性（G =脱氧鸟苷）。此行为阻碍了LPtG2模型的表征（L =一个二齿或两个顺式-不相同的载体配体； G =没有被磷酸二酯基团连接的鸟嘌呤衍生物）。我们已经检查了G = 5'-和3'-GMP和L = sp（2）N-供体双齿载体配体[5,5'-二甲基-2,2'-联吡啶（5,5 '-Me2bipy），3-（4'-甲基吡啶-2'-基）-5,6-二甲基-1,2,4-三嗪）（MepyMe2t）和bis-3,3'-（5,6-二烷基-1,2,4-三嗪）（R4dt）]。NMR光谱学提供了确凿的证据表明这些LPt（5' -GMP）2复合物以头对尾（HT）和头对头（HH）构象异构体的互变混合物形式存在。对于给定的G，围绕LPtG2模型的Pt-N7键的G碱基旋转速率按Me4dt> Et4dt> MepyMe2t>