2-pyridyl-2(1H)-pyridilydeneacetonitrile | 91899-55-7

• 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: 2-pyridyl-2(1H)-pyridilydeneacetonitrile
• CAS: 91899-55-7
• 化学式: C₂₄H₁₄N₆
• 分子量: 386.415
• InChiKey: ZDMAEOCVHAUEKP-OZBRYRDZSA-N

物化性质

• 熔点：
  >400 °C (decomp)
• 沸点：
  823.8±65.0 °C(Predicted)
• 密度：
  1.44±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.66
• 重原子数：
  30.0
• 可旋转键数：
  0.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  97.42
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  2-pyridyl-2(1H)-pyridilydeneacetonitrile 在 硫酸 、 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Aza Macrocycle that selectively binds lithium ion with color change

  摘要：

  DOI：

  10.1021/ja00331a074
• 作为产物：
  描述：

  6,6'-二溴-2,2'-联吡啶 、 氰乙酰胺 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-pyridyl-2(1H)-pyridilydeneacetonitrile
  参考文献：
  名称：

  一种颜色转换分子：具有易合成氢原​​子的新型四氮杂大环锌配合物的特殊性质

  摘要：

  新合成的不对称氮杂大环及其锌配合物旨在展示平面和非平面大环的混合特性，并显示出作为颜色转换分子的吸引力。通过改变溶剂或酸碱体系，可以很容易地控制溶液的颜色，这些化合物含有易分解的氢原子。含有游离碱大环的溶液的颜色为橙色。重要的是，含有大环锌配合物的溶液的颜色取决于溶剂；在二氯甲烷中形成的锌络合物溶液呈无色，乙腈和甲醇溶液分别呈黄色和红色。含锌络合物溶液的颜色因加入酸或碱而改变，溶液颜色之间的转变是可逆的。这种颜色切换现象被认为与 t...

  DOI：

  10.1021/ja994005b

文献信息

• First synthesis and crystal structure of a Mn3+ complex derived from the Ogawa porphyrin-like ligand
  作者：Ce´line Pierre、Jean-Marc Vincent、Jean-Baptiste Verlhac、Christian Courseille、Alain Dautant、Corinne Mathoniere

  DOI：10.1039/b100169h

  日期：——

  The synthesis and X-ray structure analysis of a new manganese(III) complex [MnL1(H2O)2]OTf displaying structural analogies with metalloporphyrins are described. This compound is characterized by very short Mn–N bond distances (1.93 Å) and a nearly planar structure. Its ability to catalyze cyclohexene epoxidation in the presence of MCPBA has also been evaluated.

  新型锰（III）配合物[MnL 1（H 2 O）2 ] OTf的合成及X射线结构分析，显示与结构类似金属卟啉 被描述。该化合物的特点是Mn–N键距非常短（1.93Å）和接近平面的结构。其催化能力环己烯 还已经评估了在MCPBA存在下的环氧化作用。
• Cobalt complexes of tetradentate, bipyridine-based macrocycles: their structures, properties and photocatalytic proton reduction
  作者：E. Joliat、S. Schnidrig、B. Probst、C. Bachmann、B. Spingler、K. K. Baldridge、F. von Rohr、A. Schilling、R. Alberto

  DOI：10.1039/c5dt04426j

  日期：——

  Complexes with purely pyridine-based macrocycles are rarely studied in photo(electro)catalysis. We synthesized and investigated macrocycles, in which two 2,2′-bipyridine (bpy) units are linked twice by two cyano-methylene groups, to yield the basic tetradentate, bipyridine based ligand framework (pyr). The protons in the bridges were substituted to obtain derivatives with one (pyr-alk) or two (pyr-alk2)

  具有纯吡啶基大环的配合物很少在光（电）催化中研究。我们合成并研究了大环，其中两个2，2'-联吡啶（bpy）单元通过两个氰基亚甲基连接两次，以产生基本的基于四齿，联吡啶的配体骨架（pyr）。桥中的质子被取代以获得分别具有一个（pyr-alk）或两个（pyr-alk 2）烷基链的衍生物。我们介绍了单戊基化和顺式-二丁基化配体的晶体结构。相应的Co II配合物[Co II（OH 2）2（pyr）]，[Co II Br（HOMe）（pyr-bu）]，[Co II Br 2（制备了顺式-pyr-bu 2）和[Co II Br 2（反式-pyr-bu 2）]，阐明了它们的理化性质并确定了晶体结构。X射线分析显示后三个复合物扭曲了八面体配位和相当平坦的Co II（pyr）}大环骨架。在[CO轴向溴化物II溴（HOME）（PYR-BU）]，[CO II溴2（顺-Pyr-BU 2）]和[CO II溴2（反式-Pyr-BU
• Highly Efficient Separation of Lithium Chloride from Seawater
  作者：Shinji Tsuchiya、Yoko Nakatani、Rizwangul Ibrahim、Shojiro Ogawa

  DOI：10.1021/ja003472m

  日期：2002.5.1

  A complexing reagent composed of two bipyridine moieties enabled the efficient separation of lithium chloride through liquid membrane from seawater, in which 0.005% lithium chloride is contained (more than 99% metal chlorides are NaCl, KCl, MgCl2, and CaCl2). That is, two separations by our liquid membrane changed the molar ratio of LiCl from 0.005% to 80%. The striking characteristic of this compound is that the lithium ion is separated efficiently from alkali and alkaline earth metal ions without the lipophilic anion. Thus this new membrane system contructed by us offers a low-energy, low-cost, and environmentally friendly method to enable the routine use of lithium chloride separation from seawater.
• The unique properties observed for the unsymmetrical macrocyclic compounds with the highly distorted structure
  作者：Junko Morita、Shinji Tsuchiya、Nao Yoshida、Nirei Nakayama、Sayaka Yokokawa、Shojiro Ogawa

  DOI：10.1016/j.tet.2007.06.059

  日期：2007.9

  A new class of aza-macrocycles with the highly distorted structure was found to exhibit unique properties. These macrocycles react with various lithium salts to form lithium complexes and their lithium complexation reactions depend on a substituent on the macrocyclic ring; slower rates and larger equilibrium constants were observed for the macrocycle with a bulkier substituent. The irradiation of these macrocycles by UV light was found to lead to the isomerization, and the photoisomerization rate of macrocycle with the bulky substituent was much faster. The highly distorted structure of these macrocycles makes it much easier to change the conformation of macrocyclic skeleton and these macrocycles have a variety of conformations. The factors to govern this conformational change were therefore explored. The solvent effect was examined by H-1 NMR spectroscopy, because these macrocycles have a strong intramolecular hydrogen bond in the ring. As a result, the solvent was found to have a big effect on the H-1 NMR spectra of macrocycles that could be explained in terms of the conformational change of macrocycle. This finding suggests the solvent to be an important way of controlling the conformation. (C) 2007 Elsevier Ltd. All rights reserved.
• Ogawa, Shojiro; Uchida, Tokiko; Uchiya, Tomoaki, Journal of the Chemical Society. Perkin transactions I, 1990, # 6, p. 1649 - 1653
  作者：Ogawa, Shojiro、Uchida, Tokiko、Uchiya, Tomoaki、Hirano, Teruyoshi、Saburi, Masahiko、Uchida, Yasuzo

  DOI：——

  日期：——