4'-butyloxy-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'-butyloxy-2,2':6',2''-terpyridine
• 英文别名: 4'-butoxy-2,2':6',2''-terpyridine；BuO-terpy；Xofivgpuxalvcn-uhfffaoysa-；4-butoxy-2,6-dipyridin-2-ylpyridine
• 化学式: C₁₉H₁₉N₃O
• 分子量: 305.379
• InChiKey: XOFIVGPUXALVCN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 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：

  cobalt(II) tetrafluoroborate hexahydrate 、 4'-butyloxy-2,2':6',2''-terpyridine 以 甲醇 、 氯仿 为溶剂， 以87.5%的产率得到[Co(4'-butoxy-2,2':6',2''-terpyridine)2](BF4)2*H2O
  参考文献：
  名称：

  [Co（terpyR X）2 ]（Y）2系统中的自旋交叉和结构的系统研究（terpyRX = 4'-烷氧基-2,2'：6'，2''-terpyridine，X = 4，8，12 ，Y = BF 4 -，CLO 4 -，PF 6 -，BPH 4 - ）

  摘要：

  自旋交叉钴的家族（II）的类型的络合物[CO（terpyRX）2 ]（Y）2 · Ñ ħ 2 O（X = 4，8，12和Y = BF 4 -，CLO 4 -，PF 6 -，BPH 4 - ）已被合成，由此，烷基链长，RX和抗衡阴离子，Y，进行了系统的变化。在该化合物家族中，已经研究了结构（单晶X射线衍射）和电子（磁化率，电子顺磁共振（EPR））特性。[Co（terpyR8）2 ]（ClO 4）2的单晶X射线衍射分析，[Co（terpyR8）2 ]（BF 4）2 ·H 2 O和[Co（terpyR4）2 ]（PF 6）2 ·3H 2 O在123 K下显示压缩的八面体低自旋Co（II）环境并显示了terpyRX配体的烷基尾部分的无序程度。磁性和EPR研究主要集中于BF 4 -族，并且对于多晶固体样品，揭示了随着烷基链的延长，自旋转变起始温度（从低到高自旋）降低。对多晶粉末样品的EPR研究证实了

  DOI：

  10.1021/ic802252k
• 作为产物：
  描述：

  4'-氯-2,2':6',2''-三联吡啶 、 正丁醇 在 氢氧化钾 作用下， 以 二甲基亚砜 为溶剂， 反应 0.5h， 以80%的产率得到4'-butyloxy-2,2':6',2''-terpyridine
  参考文献：
  名称：

  Microarray pattern recognition based on PtII terpyridyl chloride complexes: vapochromic and vapoluminescent response

  摘要：

  在具有1000×250微米孔径尺寸的微阵列中集成了18种独特PtII terpyridyl氯化物交叉反应传感器单元，当暴露于多种挥发性有机化合物（VOCs）时，它们产生独特的比色和发光响应。

  DOI：

  10.1039/b812634h

文献信息

• New 4′-Functionalized 2,2′:6′,2′′-Terpyridines for Applications in Macromolecular Chemistry and Nanoscience
  作者：Philip R. Andres、Ralph Lunkwitz、Gunther R. Pabst、Karlheinz Böhn、Daan Wouters、Stefan Schmatloch、Ulrich S. Schubert

  DOI：10.1002/ejoc.200300327

  日期：2003.10

  The well-known reaction of 4′-chloro-2,2′:6′,2′′-terpyridine with alkoxide nucleophiles leads to 4′-functionalized 2,2′:6′,2′′-terpyridines. This reaction allows the easy introduction of different functional groups onto the terpyridine at the 4′-position, i.e. opposite to the metal binding site, in one reaction step. Among the functionalized 2,2′:6′,2′′-terpyridines reported here are amines (including

  众所周知的 4'-氯-2,2':6',2''-三联吡啶与醇盐亲核试剂反应生成 4'-官能化的 2,2':6',2''-三联吡啶。该反应允许在一个反应​​步骤中容易地将不同的官能团引入三联吡啶的4'-位，即与金属结合位点相反。在此处报道的官能化 2,2':6',2''-三联吡啶中包括胺（包括手性实例）、羧酸、具有不同链长的简单烷氧基链三联吡啶和二苯乙烯官能化三联吡啶。此外，两种重要的已知物质的合成得到了显着改善。还报道了（氨基戊氧基）三联吡啶与二硫杂环戊烷官能团顺序官能化的一个例子。对于两个烷基链官能化的三联吡啶，获得了单晶 X 射线晶体学数据。最后，使用 STM 观察 HOPG 上烷基取代的三联吡啶的有序单层。(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2003)
• [EN] PLATINUM (II) COMPOUNDS<br/>[FR] COMPOSES DE PLATINE (II)
  申请人：ISIS INNOVATION

  公开号：WO2000050431A1

  公开（公告）日：2000-08-31

  A compound which is a complex of formula (I) wherein each X, which may be the same or different, is hydrogen, alkyl, cycloalkyl, alkenyl, cycloalkenyl, alkynyl, aryl, heterocyclyl, aralkyl, alkaryl, acyl, halogen, haloalkyl, haloaryl, hydroxyalkyl, hydroxyaryl, aminoalkyl, aminoaryl, primary, secondary or tertiary amine, hydrazine, alkylhydrazine, alkoxyl, alkylthio, aralkoxyl, nitrile, ester, amide, nitro, azide or aziridino, or is a covalently linked chain which is joined to at least one other complex of formula (I) so as to form a dimeric or oligomeric species, or a covalently linked moiety which provides recognition for a target receptor; and Y is alkyl, cycloalkyl, alkenyl, cycloalkenyl, alkynyl, aralkyl, heterocyclyl, an inorganic oxyacid or inorganic oxyacid derivative, or a covalently linked chain which is joined to at least one other complex of formula (I) so as to form a dimeric or oligomeric species; or a pharmaceutically acceptable salt thereof, for use in a method of treatment of the human or animal body by therapy.

  该化合物是一种公式（I）的复合物，其中每个X（可以相同也可以不同）是氢，烷基，环烷基，烯基，环烯基，炔基，芳基，杂环基，芳基烷基，烷基芳基，酰基，卤素，卤代烷基，卤代芳基，羟基烷基，羟基芳基，氨基烷基，氨基芳基，一级、二级或三级胺，肼，烷基肼，烷氧基，烷硫基，芳基烷氧基，腈，酯，酰胺，硝基，叠氮化物或环氧丙烷基，或是与至少一个其他公式（I）的复合物共价连接形成二聚体或寡聚体的共价连接链，或是提供对靶受体的识别的共价连接基团；Y是烷基，环烷基，烯基，环烯基，芳基烷基，杂环基，无机氧酸或无机氧酸衍生物，或是与至少一个其他公式（I）的复合物共价连接形成二聚体或寡聚体的共价连接链；或其药学上可接受的盐，用于治疗人体或动物体内的方法。
• 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.
• PLATINUM (II) COMPOUNDS
  申请人：ISIS INNOVATION LIMITED

  公开号：EP1155025A1

  公开（公告）日：2001-11-21
• LUMINESCENT SILICONE COATINGS
  申请人：Momentive Performance Materials Inc.

  公开号：EP3240833B1

  公开（公告）日：2020-06-03

表征谱图