2,4-diphenylpyridine N-oxide | 1041859-83-9

• 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: 2,4-diphenylpyridine N-oxide
• 英文别名: 1-Oxido-2,4-diphenylpyridin-1-ium
• CAS: 1041859-83-9
• 化学式: C₁₇H₁₃NO
• 分子量: 247.296
• InChiKey: WSVHDUSJNMHCIQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  25.5
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2,4-diphenylpyridine N-oxide 、 苯甲醯亞胺酸 在 copper(l) iodide 作用下， 以 1,4-二氧六环 为溶剂， 以88%的产率得到
  参考文献：
  名称：

  Copper-Catalyzed Direct, Regioselective Arylamination of N-Oxides: Studies To Access Conjugated π-Systems

  摘要：

  An efficient copper(I)-catalyzed direct regioselective arylamination of various heterocyclic N-oxides was achieved successfully under redox-neutral conditions using anthranils as arylaminating reagents. The developed protocol is simple, straightforward, and economic with a broad range substrate scope. The dual functional groups in the final molecules were utilized to construct structurally and functionally diverse nitrogen-containing organic x-conjugated systems.

  DOI：

  10.1021/acs.joc.7b01343
• 作为产物：
  描述：

  2,4-二苯基吡啶 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 生成 2,4-diphenylpyridine N-oxide
  参考文献：
  名称：

  Copper-Catalyzed Direct, Regioselective Arylamination of N-Oxides: Studies To Access Conjugated π-Systems

  摘要：

  An efficient copper(I)-catalyzed direct regioselective arylamination of various heterocyclic N-oxides was achieved successfully under redox-neutral conditions using anthranils as arylaminating reagents. The developed protocol is simple, straightforward, and economic with a broad range substrate scope. The dual functional groups in the final molecules were utilized to construct structurally and functionally diverse nitrogen-containing organic x-conjugated systems.

  DOI：

  10.1021/acs.joc.7b01343

文献信息

• Simultaneous dual isotope imaging of cardiac perfusion and cardiac inflammation
  申请人：——

  公开号：US20030003049A1

  公开（公告）日：2003-01-02

  The present invention provides novel diagnostic compositions comprising a radiolabeled LTB4 binding agent and a radiolabeled perfusion imaging agent, diagnostic kits comprising such compositions, and methods of concurrent imaging in a mammal comprising administering a radiolabeled LTB4 binding agent and a radiolabeled perfusion imaging agent, and concurrently detecting the radiolabeled LTB4 binding agent bound at the LTB4 receptor and the radiolabeled perfusion imaging agent.

  本发明提供了包括放射标记的LTB4结合剂和放射标记的灌注成像剂的新型诊断组合物，包括这种组合物的诊断试剂盒，以及在哺乳动物中进行同时成像的方法，包括给予放射标记的LTB4结合剂和放射标记的灌注成像剂，并同时检测结合在LTB4受体上的放射标记的LTB4结合剂和放射标记的灌注成像剂。
• Radiopharmaceuticals for imaging infection and inflammation
  申请人：——

  公开号：US20030124053A1

  公开（公告）日：2003-07-03

  The present invention provides novel radiopharmaceuticals useful for the diagnosis of infection and inflammation, reagents and kits useful for preparing the radiopharmaceuticals, methods of imaging sites of infection and/or inflammation in a patient, and methods of diagnosing diseases associated with infection or inflammation in patients in need of such diagnosis. The radiopharmaceuticals bind in vivo to the leukotriene B4 (LTB4) receptor on the surface of leukocytes which accumulate at the site of infection and inflammation. The reagents provided by this invention are also useful for the treatment of diseases associated with infection and inflammation.

  本发明提供了用于诊断感染和炎症的新型放射性药物，用于制备这些放射性药物的试剂和工具包，用于在患者体内成像感染和/或炎症部位的方法，以及用于诊断需要此类诊断的患者中与感染或炎症相关的疾病的方法。这些放射性药物在体内与在感染和炎症部位聚集的白细胞表面的白三烯B4（LTB4）受体结合。本发明提供的试剂还可用于治疗与感染和炎症相关的疾病。
• Palladium-Catalyzed C−H Functionalization of Pyridine <i>N</i>-Oxides: Highly Selective Alkenylation and Direct Arylation with Unactivated Arenes
  作者：Seung Hwan Cho、Seung Jun Hwang、Sukbok Chang

  DOI：10.1021/ja8026295

  日期：2008.7.1

  Two catalytic protocols of the oxidative C-C bond formation have been developed on the basis of the C-H bond activation of pyridine N-oxides. Pd-catalyzed alkenylation of the N-oxides proceeds with excellent regio-, stereo-, and chemoselectivity, and the corresponding ortho-alkenylated N-oxide derivatives are obtained in good to excellent yields. Direct cross-coupling reaction of pyridine N-oxides

  在吡啶 N-氧化物的 CH 键活化的基础上开发了两种氧化 CC 键形成的催化方案。Pd 催化的 N-氧化物的烯基化以优异的区域选择性、立体选择性和化学选择性进行，并且相应的邻位烯基化 N-氧化物衍生物以良好到优异的产率获得。在 Pd 催化剂和 Ag 氧化剂的存在下，还开发了吡啶 N-氧化物与未活化芳烃的直接交叉偶联反应，这提供了具有高位点选择性的邻芳基化吡啶 N-氧化物产物。
• N−X⋅⋅⋅O−N Halogen Bonds in Complexes of <i>N</i>‐Haloimides and Pyridine‐<i>N</i>‐oxides: A Large Data Set Study
  作者：Rakesh Puttreddy、J. Mikko Rautiainen、Shilin Yu、Kari Rissanen

  DOI：10.1002/anie.202307372

  日期：2023.8.21

  large data set of X⋅⋅⋅O halogen bonds in N-haloimide-pyridine-N-oxide complexes has been compiled from 132 DFT-optimized structures, 75 crystal structures, and 168 1H NMR titrations. This approach has led to unprecedented correlations being found between the DFT halogen bond interaction energies (E) derived from only three key parameters: the sigma-hole of the XB donor halogen, the atomic charge, and

  N-卤代酰亚胺-吡啶-N-氧化物配合物中的 X⋅⋅⋅O 卤素键的大型数据集已由 132 个 DFT 优化结构、75 个晶体结构和 168 个1 H NMR 滴定汇编而成。这种方法导致在仅源自三个关键参数的DFT 卤键相互作用能 ( E ) 之间发现了前所未有的相关性：XB 供体卤素的西格玛空穴、原子电荷和氧原子的局部电离能。
• LTB4 antagonists and radiopharmaceuticals for imaging infection and inflammation
  申请人：Bristol-Myers Squibb Pharma Company

  公开号：EP1293214A2

  公开（公告）日：2003-03-19

  The present invention provides novel radiopharmaceutials useful for the diagnosis of infection and inflammation, reagents and kits useful for preparing the radiopharmaceuticals, methods of imaging sites of infection and/or inflammation in a patient, and methods of diagnosing diseases associated with infection or inflammation in patients in need of such diagnosis. The radiopharmaceuticals bind in vivo to the leukotriene B4 (LTB4) receptor on the surface of leukocytes which accumulate at the site of infection and inflammation. The reagents provided by this invention are also useful for the treatment of diseases associated with infection and inflammation.

  本发明提供了用于诊断感染和炎症的新型放射性药物、用于制备放射性药物的试剂和试剂盒、对患者感染和/或炎症部位进行成像的方法，以及对需要进行此类诊断的患者进行与感染或炎症相关的疾病诊断的方法。放射性药物在体内与白细胞表面的白三烯 B4（LTB4）受体结合，白细胞在感染和炎症部位聚集。本发明提供的试剂还可用于治疗与感染和炎症有关的疾病。