(Z)-4-fluoro-N-(4-((6-methylpyridin-2-yl)carbamoyl)benzylidene)anilineoxide | 1118004-53-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (Z)-4-fluoro-N-(4-((6-methylpyridin-2-yl)carbamoyl)benzylidene)anilineoxide
• 英文别名: (Z)-4-fluoro-N-(4-(6-methylpyridin-2-ylcarbamoyl)benzylidine)aniline oxide
• CAS: 1118004-53-7
• 化学式: C₂₀H₁₆FN₃O₂
• 分子量: 349.364
• InChiKey: LMRYFQJDJTXBBU-CFRMEGHHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.04
• 重原子数：
  26.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  68.06
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2-(3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl)acetic acid 、 (Z)-4-fluoro-N-(4-((6-methylpyridin-2-yl)carbamoyl)benzylidene)anilineoxide 以 二氯甲烷-D2 为溶剂， 反应 16.0h， 以90%的产率得到2-(3-(2-(4-fluorophenyl)-3-(4-(6-methylpyridin-2-ylcarbamoyl)phenyl)-4,6-dioxodihydro-2H-pyrrolo[3,4-d]isoxazol-5(3H,6H,6aH)-yl)phenyl)acetic acid
  参考文献：
  名称：

  A recognition-mediated reaction drives amplification within a dynamic library

  摘要：

  一个识别事件直接针对交换池中的四个成员之一，进行选择和转化。

  DOI：

  10.1039/c5ob01621e
• 作为产物：
  描述：

  4-formyl-N-(6-methyl-pyridin-6-yl)benzamide 、 N-(4-氟苯基)羟胺 以 乙醇 为溶剂， 反应 16.0h， 以64%的产率得到(Z)-4-fluoro-N-(4-((6-methylpyridin-2-yl)carbamoyl)benzylidene)anilineoxide
  参考文献：
  名称：

  A recognition-mediated reaction drives amplification within a dynamic library

  摘要：

  一个识别事件直接针对交换池中的四个成员之一，进行选择和转化。

  DOI：

  10.1039/c5ob01621e

文献信息

• Probing the Limits of Selectivity in a Recognition-Mediated Reaction Network Embedded within a Dynamic Covalent Library
  作者：Tamara Kosikova、Harry Mackenzie、Douglas Philp

  DOI：10.1002/chem.201503740

  日期：2016.1.26

  Two recognition‐mediated reaction processes operating through reactive binary complexes drive resolution of a 24‐component dynamic covalent library, assembled from individual aldehydes and nucleophiles. The effectiveness of the library resolution and selective amplification of one recognition‐enabled species over another is limited by the difference in the rates of the recognition‐mediated reactive

  通过反应性二元配合物进行的两个识别介导的反应过程可驱动由单个醛和亲核试剂组装而成的24组分动态共价文库的拆分。文库解析和对一种能够识别的物种进行选择性扩增的有效性受到识别介导的反应过程速率和动态系统中所采用的识别过程强度差异的限制。
• Compositional Persistence in a Multicyclic Network of Synthetic Replicators
  作者：Jürgen Huck、Tamara Kosikova、Douglas Philp

  DOI：10.1021/jacs.9b06697

  日期：2019.9.4

  The emergence of collections of simple chemical entities that create self-sustaining reaction networks, embedding replication and catalysis, is cited as a potential mechanism for the appearance on the early Earth of systems that satisfy minimal definitions of life. In this work, a functional reaction network that creates and maintains a set of privileged replicator structures through auto- and cross-catalyzed reaction cycles is created from the pairwise combinations of four reagents. We show that the addition of individual preformed templates to this network, representing instructions to synthesize a specific replicator, induces changes in the output composition of the system that represent a network-level response. Further, we establish through sets of serial transfer experiments that the catalytic connections that exist between the four replicators in this network and the system-level behavior thereby encoded impose limits on the compositional variability that can be induced by repeated exposure to instructional inputs, in the form of preformed templates, to the system. The origin of this persistence is traced through kinetic simulations to the properties and inter-relationships between the critical ternary complexes formed by the auto- and cross-catalytic templates. These results demonstrate that in an environment where there is no continuous selection pressure the network connectivity, described by the catalytic relationships and system-level interactions between the replicators, is persistent, thereby limiting the ability of this network to adapt and evolve.
• A Simple Synthetic Replicator Amplifies Itself from a Dynamic Reagent Pool
  作者：Jan W. Sadownik、Douglas Philp

  DOI：10.1002/anie.200804223

  日期：2008.12.8