Propyl 4'-(2,2':6',2''-terpyridinyl) ether | 220593-33-9

• 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: Propyl 4'-(2,2':6',2''-terpyridinyl) ether
• 英文别名: 4-Propoxy-2,6-dipyridin-2-ylpyridine
• CAS: 220593-33-9
• 化学式: C₁₈H₁₇N₃O
• 分子量: 291.352
• InChiKey: NHBKOWLJQBLIAR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  47.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Propyl 4'-(2,2':6',2''-terpyridinyl) ether 在 三乙胺 作用下， 以 乙醇 、 水 、 丙酮 为溶剂， 反应 8.0h， 生成 [Ru(PrOtpy)(2,2′-bipyridine)(water)](NO₃)₂
  参考文献：
  名称：

  单核钌水配合物有效氧化水的取代基的关键哈米特电子给定能力

  摘要：

  [Ru（Rtpy）（bpy）（H 2 O）] 2+（1R ; bpy = 2,2'-联吡啶，Rtpy = 2,2'：6'，2''-叔吡啶衍生物）配合物合成并表征了Rtpy上的4'-取代基，以揭示取代基对其结构，理化性质和对水氧化的催化活性的影响。1R的几何结构不受Rtpy上4'取代基的供电子能力影响。对于1R观察到类似的多步质子偶联电子转移反应并且，随着取代基的供电子能力的增加，每个氧化步骤的氧化还原电势趋于降低，这可以解释为供电子基团在Ru中心的电子密度增加，从而稳定了积聚的正电荷。在氧化时。这与由于Ru中心的d轨道能级增加而分配给1R的金属到配体电荷转移跃迁的480 nm附近吸收带的红移一致。然而，水氧化催化反应的1R转换频率（k O 2）很大程度上取决于Rtpy配体，范围从0.05×10 –2到44×10 –2 s –1（因为观察到R =乙氧基的最高k O 2）是880倍。4'-取代

  DOI：

  10.1021/acs.inorgchem.9b01623
• 作为产物：
  描述：

  丙醇 、 4'-氯-2,2':6',2''-三联吡啶 在 氢氧化钾 作用下， 以 二甲基亚砜 为溶剂， 反应 24.5h， 以93%的产率得到Propyl 4'-(2,2':6',2''-terpyridinyl) ether
  参考文献：
  名称：

  通过 Tetrabis(2,2':6',2''-terpyridine)ruthenium(II) 配合物的电活性金属大分子：无外部抗衡离子的结构异构体和中性物种的树枝状纳米网络

  摘要：

  通过四个双(2,2':6',2''-三联吡啶)钌(II)连接的树枝状网络的概念被用来创建“树枝状甲烷”型金属大分子。此外，设计、合成和表征了两种结构异构的金属树枝状聚合物（16 和 17）。这两种异构体在光谱上相似，并显示出非常相似的物理和化学性质；然而，这些分子的内部密度和空隙区域是通过循环伏安法来区分的。描述了内部和外部树枝状分支的体积对三联吡啶-钌配合物的影响。类似的合成策略允许制备两代不具有外部抗衡离子的中性金属大分子（33 和 36）。描述了这些内部电荷平衡的中性物种的好处，

  DOI：

  10.1021/ja001401h

文献信息

• Neutral highly branched metallomacromolecules: incorporation of a (2,2′:6′,2′′-terpyridine)ruthenium(ii) complex without external counterions
  作者：George R. Newkome、Enfei He、Luis A. Godínez、Gregory R. Baker

  DOI：10.1039/a806509h

  日期：——

  Neutral dendritic metallomacromolecules possessing four bis-terpyridine RuII linking sites with internal counter ions have been prepared and their electrochemical properties have been studied.

  已制备具有四个双取代吡啶RuII链接位点并含有内部对电荷离子的中性树状金属大分子，并对其电化学性质进行了研究。
• Metal complexes of 4′-(3-phenylpropoxy)-2,2′:6′,2″-terpyridine and 4′-(3-propoxy)-2,2′:6′,2″-terpyridine
  作者：Xiaoming Liu、Eric J.L McInnes、Colin A Kilner、Mark Thornton-Pett、Malcolm A Halcrow

  DOI：10.1016/s0277-5387(01)00905-6

  日期：2001.10

  Reaction of 4'-chloro-2,2':6',2"-terpyridine with 3-phenyl-n-propanol or n-propanol in the presence of excess KOH in dmso, respectively, yields 4'-(3-phenylpropoxy)-2,2':6',2"-terpyridine (L-2) and 4'-(3-propoxy)-2,2':6',2"-terpyridine (L-3). The following complexes of these two ligands have been prepared: [Cu(mu -Cl)L}(2)](BF4)(2), [Cu(NCMe)(L)](BF4)(2), [PdCl(L)]BF4 and [PtCl(L)]BF4 (L = L-2, L-3). Recrystallisation of [Cu(NCMe)(L-2)](BF4)(2) from PhCN/Et2O yields [Cu(NCPh)(L-2)](BF4)(2), whose crystal structure shows a square planar Cu(Il) ion with substantial disorder in the PhCN ligand and 3-phenylpropoxy tail. The single crystal structure of [PdCl(L-2)]BF4. 2CH(3)NO(2) contains a square planar Pd(II) centre. Neither of these structures, nor the solution spectroscopic or electrochemical data from the complexes, provide any evidence for intramolecular pi-pi interactions between the terpyridine ring and phenylpropoxy substituent. (Non-SI unit employed: 1 G = 10(-4) T.) (C) 2001 Elsevier Science Ltd. All rights reserved.
• Substituent Effects on Core Structures and Heterogeneous Catalytic Activities of Mn^III(μ-O)₂Mn^IV Dimers with 2,2′:6′,2″-Terpyridine Derivative Ligands for Water Oxidation
  作者：Hirosato Yamazaki、Satoshi Igarashi、Toshi Nagata、Masayuki Yagi

  DOI：10.1021/ic201797h

  日期：2012.2.6

  [(OH2)(R-terpy)Mn(mu-O)(2)Mn(R-terpy)-(OH2)](3+) (R-terpy = 4'-substituted 2,2':62 ''-terpyridine, R = butoxy (BuO), propoxy (PrO), ethoxy (Et0), methoxy (MeO), methyl (Me), methylthio (MeS), chloro (Cl)) have been synthesized as a functional oxygen-evolving complex (OEC) model and characterized by UV-vis and IR spectroscopic, X-ray crystallographic, magnetometric, and electrochemical techniques. The UV-vis spectra of derivatives in water were hardly influenced by the 4'-substituent variation. X-ray crystallographic data showed that Mn centers in the Mn-III(mu-O)(2)Mn-IV cores for derivatives with R = H, MeS, Me, EtO, and BuO are crystallographically indistinguishable, whereas the derivatives with R = MeO and PrO gave the significantly distinguishable Mn centers in the cores. The indistinguishable Mn centers could be caused by rapid electron exchange between the Mn centers to result in the delocalized Mn(mu-O)(2)Mn core. The exchange integral values (J = -196 to -178 cm(-1)) for delocalized cores were lower than that (J= -163 to -161 cm(-1)) for localized cores, though the Mn center dot center dot center dot Mn distances are nearly the same (2.707-2.750 angstrom). The half wave potential (E-1/2) of a Mn-III-Mn-IV/Mn-IV-Mn-IV pair of the derivatives decreased with an increase of the electron-donating ability of the substituted groups for the delocalized core, but it deviated from the correlation for the localized cores. The catalytic activities of the derivatives on mica for heterogeneous water oxidation were remarkably changed by the substituted groups. The second order rate constant (k(2)/mol(-1) s(-1)) for O-2 evolution was indicated to be correlated to E-1/2 of a Mn-III-Mn-IV-Mn-IV pair; k(2) increased by a factor of 29 as E-1/2 increased by 28 mV.
• LUMINESCENT SILICONE COATINGS
  申请人：Momentive Performance Materials Inc.

  公开号：EP3240833B1

  公开（公告）日：2020-06-03
• Peptoid compositions and methods of using the same
  申请人：Kirshenbaum Kent

  公开号：US20090318667A1

  公开（公告）日：2009-12-24

  Novel peptoids are disclosed that have a formula represented by the following formulae Ia and Ib: wherein X, Y, R, and n are as described herein. The peptoids demonstrate catalytic activity and are useful in substrate-selective catalytic transformations, including asymmetric catalytic transformations.