1-(2,2':6',2''-terpyridin-4'-yl)-2,5-diaza-5-methyl-hexa-1-ene | 245486-17-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1-(2,2':6',2''-terpyridin-4'-yl)-2,5-diaza-5-methyl-hexa-1-ene
• 英文别名: 2-[(2,6-dipyridin-2-ylpyridin-4-yl)methylideneamino]-N,N-dimethylethanamine
• CAS: 245486-17-3
• 化学式: C₂₀H₂₁N₅
• 分子量: 331.42
• InChiKey: JHUJZHLMCYBFRE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  54.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ferrous perchlorate 、 1-(2,2':6',2''-terpyridin-4'-yl)-2,5-diaza-5-methyl-hexa-1-ene 以 四氢呋喃 、 水 为溶剂， 生成 Fe(1-(2,2':6',2''-terpyridin-4'-yl)-2,5-diaza-5-methyl-hexa-1-ene)2(2+)
  参考文献：
  名称：

  Receptors based on 2,2′:6′,2″-terpyridine fragments containing peripheral amino groups

  摘要：

  The reaction of 2,2':6',2"-terpyridinyl-4'-carboxaldehyde with the diamine N-methyl-1,3-propanediamine yields the terpyridine derivative containing amino groups 1-(2,2':6',2"-terpyridin-4'-yl)-2,6-diaza-2-methylcyclohexane (L-1), whereas under similar experimental conditions the reaction of 2,2':6',2"-terpyridinyl-4'-carboxaldehyde with N,N-dimethylethylenediamine yields the expected 1-(2,2':6',2"-terpyridin-4'-yl)-2,5-diaza-5-methyl-hexa-1-ene (L-2) imine and the [4'-COO-tpy][H3NCH2CH2N(CH3)(2)] salt (L-3). The crystal structure of L-3 was determined by X-ray single-crystal analysis. The structure consists of terpyridine carboxylate and protonated diamines linked together by ionic and hydrogen bonding interactions. The homoleptic complexes [Co(L-1)(2)](2+) and [Fe(L-1)(2)](2+) have been prepared. These contain peripheral amino groups and their interactions with protons and the anions ATP, chloride, sulphate and phosphate have been studied in acetonitrile and in THF:water (70:30 v/v) using electrochemical techniques. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(99)00165-6