4-氯-2,6-二酰基吡啶 | 195967-10-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 4-氯-2,6-二酰基吡啶
• 英文名称: 4-chloro-2,6-diacetylpyridine
• 英文别名: 1-(6-acetyl-4-chloropyridin-2-yl)ethanone
• CAS: 195967-10-3
• 化学式: C₉H₈ClNO₂
• mdl: MFCD11036221
• 分子量: 197.621
• InChiKey: HVWKKCHGZJFEQD-UHFFFAOYSA-N

物化性质

• 沸点：
  339.6±42.0 °C(Predicted)
• 密度：
  1.253±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  47
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  4-氯-2,6-二酰基吡啶 在 高氯酸 、 对甲苯磺酸 、 sodium hydroxide 作用下， 以 四氢呋喃 、 二甲基亚砜 、 甲苯 为溶剂， 反应 50.0h， 生成 4-[1,3-bis(hexadecyloxy)propan-2-oxy]-2,6-diacetylpyridine
  参考文献：
  名称：

  Amphiphilic Pentaazamacrocyclic Manganese Superoxide Dismutase Mimetics

  摘要：

  Five newly functionalized pentaazamacrocyclic manganese complexes, with variable lengths and amounts of the aliphatic groups (three compounds with one linear chain containing 12, 16, and 22 carbon atoms, i.e., MnL1, MnL2, and MnL3, respectively, as well as two compounds containing two C12 and C16 chains, MnL4 and MnL5, respectively) that are derivatives of the known SOD mimetic, Mn(Me-2-Pyane), have been synthesized. These amphiphilic complexes were characterized by the ESI mass spectrometry, potentiometric titrations, light scattering, cyclic voltammetry, and direct stopped-flow determination of their SOD activity at pH 8.1 and 7.4 (in phosphate and HEPES buffers). The formation of supra-molecular aggregates that predominantly exist in the solution as a defined micellar/nanostructure assembly, with an average 400 nm size, has been demonstrated for MnL1. The biological effects of the selected complexes (MnL1 and MnL2) on the superoxide level in cytosol and mitochondria have been tested, as well as their effects on the prevention of the lipid peroxidation induced by paraquat. Advantages and disadvantages of the lipophilic pentaazamacrocyclic manganese SOD mimetics in comparison to the corresponding nonsubstituted SOD active complex have been discussed.

  DOI：

  10.1021/ic402469t
• 作为产物：
  描述：

  4-chloro-2,6-bis-(diazoacetyl)pyridine 在 氢碘酸 作用下， 以 二氯甲烷 为溶剂， 反应 48.0h， 以99%的产率得到4-氯-2,6-二酰基吡啶
  参考文献：
  名称：

  用于合成含镧系元素大环希夫碱的镧系元素的新合成子，该取代基具有可用于束缚的取代基

  摘要：

  由氯戊二酸制备在4-位被胺或醇基取代的2，6-二乙酰基吡啶。经由重氮中间体以高收率合成关键的4-氯衍生物，并在被各种氨基醇基团取代之前被保护为双-1,3-二恶烷。镧系元素大环四亚胺配合物是通过模板方法获得的，该方法可生成稳定的顺磁性和/或荧光衍生物，并具有可与大分子连接的锚定基团。

  DOI：

  10.1016/s0040-4020(00)00104-6

文献信息

• HIGH PERFORMANCE LUMINESCENT COMPOUNDS
  申请人：Smith Bradley

  公开号：US20110118459A1

  公开（公告）日：2011-05-19

  Embodiments relate to the field of chemistry and biochemistry, and, more specifically, to novel near-infrared dyes that are photostable and resistant to quenching. The dyes belong to a novel family of squaraine rotaxanes, and they are particularly well-suited for use in biological applications. Also disclosed are methods of synthesizing the dyes and methods of using the dyes.

  该实施例涉及化学和生物化学领域，更具体地涉及新型近红外染料，这些染料具有光稳定性并且抗猝灭。这些染料属于一种新型的方酮轮烷家族，特别适用于生物应用。还公开了合成这些染料的方法和使用这些染料的方法。
• Synthetic Access to Derivatized Mn-Pyane as a Redox-modulated Pool of SODm
  作者：Andreas Scheitler、Felix Friedel、Ralph Puchta、Carlos Dücker-Benfer、Ivana Ivanović-Burmazović

  DOI：10.1002/zaac.201800140

  日期：2018.8.2

  fine‐tuning of the manganese centered redox potential, without significant change to the overall complex arrangement that is crucial for a correct comparison regarding their superoxide dismutase mimetic (SODm) capabilities. The crystal structure of the seven‐coordinate OMe‐substituted Mn‐pyane complex was obtained. The synthesized complexes will serve for future investigations related to an effect of complex

  在这项工作中，五氮杂大环Mn-吡喃的四种衍生物[pyane =反式-2,13-二甲基-3,6,9,12,18-五氮杂双环[12.3.1] -octadeca-1（18），14,16合成并表征了[-triene]配合物，在吡啶环上带有小的取代基，可以精细调节以锰为中心的氧化还原电位，而对整体配合物的布置没有重大改变，这对于正确比较它们的超氧化物歧化酶模拟物（SODm ）功能。获得了七配位的OMe取代的Mn-丙烷复合物的晶体结构。合成的配合物将用于与复合物氧化还原电势对其在SOD催化中的机械行为的影响有关的未来研究。
• Ruthenium(II) Sensitizers with Heteroleptic Tridentate Chelates for Dye-Sensitized Solar Cells
  作者：Chun-Cheng Chou、Kuan-Lin Wu、Yun Chi、Wei-Ping Hu、Shuchun Joyce Yu、Gene-Hsiang Lee、Chia-Li Lin、Pi-Tai Chou

  DOI：10.1002/anie.201006629

  日期：2011.2.25

  Unprecedented RuII sensitizers are coordinated by two tridentate ligands, a tricarboxyterpyridine, and a dianionic bis(pyrazolyl)pyridine derivative with an extended π‐conjugated auxochrome (see picture, Ru magenta, N blue, O red, F green, S yellow, C gray). This new generation of thiocyanate‐free RuII sensitizers offers solar conversion efficiency in dye‐sensitized solar cells up to η=10.7 %.

  Ru的两个新特性：前所未有的Ru II敏化剂由两个三齿配体，一个三羧基吡啶和一个带有扩展的π-共轭辅助色素的双阴离子双（吡唑基）吡啶衍生物配合使用（见图，Ru品红色，N蓝色，O红色，F绿色，S黄色，C灰色）。新一代不含硫氰酸盐的Ru II敏化剂可在染料敏化太阳能电池中提供高达η = 10.7％的太阳能转化效率。
• Electronic Effects of the Backbone on Bis(imino)pyridyliron(II)‐Catalyzed Ethylene Polymerization
  作者：Lihua Guo、Yanlan Liu、Kunbo Lian、Wenting Sun、Huaxia Zhu、Qing Du、Zhe Liu、Xiaoyu Chen、Shengyu Dai

  DOI：10.1002/ejic.201800908

  日期：2018.12.6

  influence on the catalytic activity of ethylene polymerization. Complexes bearing electron‐withdrawing substituents in the 4‐position of the pyridine ring showed the better activity than analogues bearing electron‐donating substituents. However, no clear trend was observed for the dependence of polymer molecular weight on these substituents. In particular, the binuclear iron(III) complex 2′ we obtained

  一系列的双（亚氨基）吡啶基铁（II）配合物1 - 5合成并表征了配体主链上带有给电子和撤电子取代基的取代基。用甲基铝氧烷（MAO）活化后，对这些铁（II）配合物进行的乙烯聚合进行了详细研究，涉及电子效应以及反应条件对催化剂活性和聚合物分子量的影响。电子扰动对乙烯聚合的催化活性影响很大。在吡啶环的4位带有吸电子取代基的配合物显示出比带有给电子取代基的类似物更好的活性。但是，没有观察到明显的趋势，即聚合物分子量对这些取代基的依赖性。特别是双核铁（III）络合物2'我们偶然获得的结果显示出与其铁（II）类似物络合物2相似的催化行为。
• Modified Pyridine‐Bis(imine) Iron and Cobalt Complexes: Synthesis, Structure, and Ethylene Polymerization Study
  作者：Frédéric Pelascini、Marcel Wesolek、Frédéric Peruch、Pierre J. Lutz

  DOI：10.1002/ejic.200600239

  日期：2006.11

  describe the synthesis of two new pyridine-bis(imine)s 4-chloro-2,6-bis[1-(2,6-diisopropylphenylimino)ethyl]pyridine and 2,6-bis[1-(2,6-dimethylcyclohexylimino)ethyl]pyridine} and their complexation with iron and cobalt dichloride. The solid-state structure of the iron complexes was solved and found to be very close to catalysts already described by Brookhart and Gibson. Their ability to polymerize ethylene

  在本文中，我们描述了两种新的吡啶-双（亚胺）4-氯-2,6-双[1-(2,6-二异丙基苯基亚氨基)乙基]吡啶和2,6-双[1- (2,6-二甲基环己基亚氨基)乙基]吡啶}及其与二氯化铁和二氯化钴的络合。铁络合物的固态结构被解析并发现与 Brookhart 和 Gibson 已经描述的催化剂非常接近。在用 MAO 活化后研究了它们聚合乙烯的能力。因此表明配体的吡啶环的取代是不利的：它们的催化活性相当低。亚胺官能团上的芳环被二甲基环己基环取代导致铁络合物对乙烯的低聚和聚合的活性完全丧失。与钴类似物，在相同条件下可以实现乙烯的聚合。((c) Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)。