(4′-(2,2,2-tris(hydroxymethyl)ethoxy)-2,2′:6′,2″-terpyridine)

• 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: (4′-(2,2,2-tris(hydroxymethyl)ethoxy)-2,2′:6′,2″-terpyridine)
• 英文别名: 4'-[1,1,1-tris(hydroxymethyl)methoxy]-2,2':6'2''-terpyridine；2-[(2,6-Dipyridin-2-ylpyridin-4-yl)oxymethyl]-2-(hydroxymethyl)propane-1,3-diol；2-[(2,6-dipyridin-2-ylpyridin-4-yl)oxymethyl]-2-(hydroxymethyl)propane-1,3-diol
• 化学式: C₂₀H₂₁N₃O₄
• 分子量: 367.404
• InChiKey: YTENLHJSOLSASB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  27
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  109
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (4′-(2,2,2-tris(hydroxymethyl)ethoxy)-2,2′:6′,2″-terpyridine) 、 zinc(II) acetate dihydrate 以 甲醇 为溶剂， 反应 1.0h， 以69%的产率得到[Zn((4′-(2,2,2-tris(hydroxymethyl)ethoxy)-2,2′:6′,2″-terpyridine))₂][OAc]_2*11H2O
  参考文献：
  名称：

  Water-soluble bis(4′-[2,2,2-tris(hydroxymethyl)ethoxy]-2,2′:6′,2″-terpyridine)metal complexes

  摘要：

  A series of homoleptic metal complexes containing the pentaerythritol-functionalized ligand 1 (4'-(2,2,2-tris(hydroxymethyl)ethoxy)-2,2':6',2 ''-terpyridine) has been synthesized. In MeOH and under microwave conditions, the 2,2,2-tris(hydroxymethyl)ethoxy substituent is cleaved and replaced by a methoxy group originating from the solvent. This has been confirmed from the single crystal structure of [Zn(2)(2)][PF6](2) (2 = 4'-methoxy-2,2':6',2 ''-terpyridine). The complexes [Zn(1)(2)][OAc](2), [Fe(1)(2)]Cl-2 and [Co(1)(2)][PF6](2) were therefore prepared under mild conditions; [Co(1)(2)][PF6](2) readily oxidizes to [Co(1)(2)][PF6](3); the conversion of the paramagnetic [Co(1)(2)](2+) to diamagnetic [Co(1)(2)](3+) is readily monitored by H-1 NMR spectroscopy. The homoleptic complexes are hygroscopic and are highly soluble in water; the most soluble is [Zn(1)(2)][OAc](2) (71 mmol dm(-3)). Structural data for 1, [Zn(1)(2)][PF6](2), 4{[Zn(1)(2)][PF6](2))center dot 3MeCN, [Zn(1)(OAc-O)(2)]center dot 2MeOH and 2{[Co(1)(2)][PF6](3))center dot 1.5MeCN center dot 1.5H(2)O confirm that dominant packing forces involve hydrogen bonds between pendant 2,2,2-tris(hydroxymethyl)ethoxy units. (c) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2013.02.013

文献信息

• Pentaerythritol-based metallodendrimers
  作者：Edwin C. Constable、Catherine E. Housecroft、Marco Cattalini、David Phillips

  DOI：10.1039/a708320c

  日期：——

  Two new pentaerythritol-functionalised 2,2′:6′,2″-terpyridine (tpy) derivatives have been prepared. One contains four tpy metal-binding domains, whereas the other contains one tpy domain and three pendant CH2OH groups. The combination of these components with ruthenium-containing building blocks has allowed the specific and stepwise synthesis of tetranuclear and hexadecanuclear metallodendrimers.

  已经制备了两种新的季戊四醇官能化的2,2′:6′,2″-三联吡啶（tpy）衍生物。其中一种含有四个tpy金属结合域，而另一种则含有1个tpy域和3个CH2OH侧基。这些成分与含钌的构建模块相结合，可以逐步合成四核和十六核金属树状聚合物。
• The Midas touch: a gold rich metallodendritic wedge
  作者：Edwin C. Constable、Catherine E. Housecroft、Markus Neuburger、Silvia Schaffner、Ellen J. Shardlow

  DOI：10.1039/b705430k

  日期：——

  A dendritic wedge containing three peripheral alkynyl gold(I) phosphine units exhibits Au⋯Au interactions in the solid state resulting in a one-dimensional organometallic polymer.

  含有三个外围炔基金（I）膦单元的树枝状楔形结构在固态下表现出金-金相互作用，形成一维有机金属聚合物。
• Water-soluble bis(4′-[2,2,2-tris(hydroxymethyl)ethoxy]-2,2′:6′,2″-terpyridine)metal complexes
  作者：Edwin C. Constable、Catherine E. Housecroft、Niamh S. Murray、Jennifer A. Zampese

  DOI：10.1016/j.poly.2013.02.013

  日期：2013.4

  A series of homoleptic metal complexes containing the pentaerythritol-functionalized ligand 1 (4'-(2,2,2-tris(hydroxymethyl)ethoxy)-2,2':6',2 ''-terpyridine) has been synthesized. In MeOH and under microwave conditions, the 2,2,2-tris(hydroxymethyl)ethoxy substituent is cleaved and replaced by a methoxy group originating from the solvent. This has been confirmed from the single crystal structure of [Zn(2)(2)][PF6](2) (2 = 4'-methoxy-2,2':6',2 ''-terpyridine). The complexes [Zn(1)(2)][OAc](2), [Fe(1)(2)]Cl-2 and [Co(1)(2)][PF6](2) were therefore prepared under mild conditions; [Co(1)(2)][PF6](2) readily oxidizes to [Co(1)(2)][PF6](3); the conversion of the paramagnetic [Co(1)(2)](2+) to diamagnetic [Co(1)(2)](3+) is readily monitored by H-1 NMR spectroscopy. The homoleptic complexes are hygroscopic and are highly soluble in water; the most soluble is [Zn(1)(2)][OAc](2) (71 mmol dm(-3)). Structural data for 1, [Zn(1)(2)][PF6](2), 4[Zn(1)(2)][PF6](2))center dot 3MeCN, [Zn(1)(OAc-O)(2)]center dot 2MeOH and 2[Co(1)(2)][PF6](3))center dot 1.5MeCN center dot 1.5H(2)O confirm that dominant packing forces involve hydrogen bonds between pendant 2,2,2-tris(hydroxymethyl)ethoxy units. (c) 2013 Elsevier Ltd. All rights reserved.