2-benzyloxy-3-nitro-benzoyl chloride | 213266-06-9

• 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: 2-benzyloxy-3-nitro-benzoyl chloride
• 英文别名: 3-Nitro-2-phenylmethoxybenzoyl chloride
• CAS: 213266-06-9
• 化学式: C₁₄H₁₀ClNO₄
• 分子量: 291.691
• InChiKey: AGPYEQWCZRXSEH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  72.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-benzyloxy-3-nitro-benzoyl chloride 在 甲醇 、 铁粉 、 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 溶剂黄146 、 三乙胺 、 N,N-二异丙基乙胺 、 sodium hydroxide 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 14.0h， 生成
  参考文献：
  名称：

  Intramolecularly Hydrogen-Bonded Aromatic Pentamers as Modularly Tunable Macrocyclic Receptors for Selective Recognition of Metal Ions

  摘要：

  Despite the tremendous progress that has been made in macrocyclic chemistry since the discovery of corands, cryptands, and spherands more than four decades ago, macrocyclic systems possessing a high level of controllability in structural configuration concurrent with a systematic tunability in function are still very rare. Employing an inner design strategy to orient Hbonding forces toward a macrocyclic cavity interior while convergently aligning exchangeable ionbinding building blocks that dictate a near-identical backbone curvature, we demonstrate here a novel pentagonal framework that not only enables its variable interior cavity to be maintained at near-planarity but also allows its ion-binding potential to be highly tunable. The H-bonded macrocyclic pentamers thus produced have allowed a systematic and combinatorial evolution of ion-selective pentamers for preferential recognition of Cs+, K+, or Ag+ ions.

  DOI：

  10.1021/jacs.5b07123
• 作为产物：
  描述：

  2-(benzyloxy)-3-nitrobenzoic acid 在 氯化亚砜 作用下， 反应 2.0h， 生成 2-benzyloxy-3-nitro-benzoyl chloride
  参考文献：
  名称：

  Persistently Folded Circular Aromatic Amide Pentamers Containing Modularly Tunable Cation-Binding Cavities with High Ion Selectivity

  摘要：

  In this work, we illustrated a novel design strategy that allows systematically tunable interior properties (effective cavity size, steric crowdedness, and hydrophobicity) contained within a novel class of shape-persistent aromatic pentamers to take place on a scale below 3 angstrom. Such finely tunable structural features are complimented by experimentally observable functional variations in ion-binding potential. Results of the selective, differential binding affinities of three circular pentamers for Li(+), Na(+), K(+), Rb(+), and Cs(+), substantiated by metal-containing crystal structures and computational modeling, are detailed.

  DOI：

  10.1021/ja1035804

文献信息

• Substituted aminosalicyclic acid amides with fungicidal effect and intermediate products for production thereof
  申请人：Bayer Aktiengesellschaft

  公开号：US06194418B1

  公开（公告）日：2001-02-27

  The invention relates to novel substituted aminosalicylamides, to a plurality of processes for their preparation and to their use as fungicides, and also to novel intermediates and to a plurality of processes for their preparation.

  这项发明涉及新型取代氨基水杨酰胺，以及它们的制备的多种方法，以及它们作为杀真菌剂的用途，还涉及新型中间体和它们的制备的多种方法。
• Substituted aminosalicylic acid amides with fungicidal effect and intermediate products for production thereof
  申请人：——

  公开号：US20020006958A1

  公开（公告）日：2002-01-17

  The invention relates to novel substituted aminosalicylamides, to a plurality of processes for their preparation and to their use as fungicides, and also to novel intermediates and to a plurality of processes for their preparation.

  该发明涉及新的取代氨基水杨酰胺，以及多种制备它们的方法，以及它们作为杀真菌剂的用途，还涉及新的中间体以及多种制备它们的方法。
• Substituierte Aminosalicylsäureamide ( Zwischenprodukte)
  申请人：Bayer CropScience AG

  公开号：EP1533303A1

  公开（公告）日：2005-05-25

  Die Erfindung betrifft neue substituierte Aminosalicylsäureamide, mehrere Verfahren zu ihrer Herstellung und ihre Verwendung als Fungizide, sowie neue Zwischenprodukte und mehrere Verfahren zu deren Herstellung.

  本发明涉及新的取代氨基水杨酸酰胺、其制备和用作杀菌剂的几种工艺，以及新的中间体和其制备的几种工艺。
• Zwischenprodukte zur Herstellung von substituierten Aminosalicylsäureamiden mit funizider Wirkung
  申请人：Bayer CropScience AG

  公开号：EP2292608A1

  公开（公告）日：2011-03-09

  Die Erfindung betrifft neue substituierte Aminosalicylsäureamide, mehrere Verfahren zu ihrer Herstellung und ihre Verwendung als Fungizide, sowie neue Zwischenprodukte und mehrere Verfahren zu deren Herstellung.

  本发明涉及新的取代氨基水杨酸酰胺、其制备和用作杀菌剂的几种工艺，以及新的中间体和其制备的几种工艺。
• Persistently Folded Circular Aromatic Amide Pentamers Containing Modularly Tunable Cation-Binding Cavities with High Ion Selectivity
  作者：Bo Qin、Changliang Ren、Ruijuan Ye、Chang Sun、Khalid Chiad、Xiuying Chen、Zhao Li、Feng Xue、Haibin Su、Gregory A. Chass、Huaqiang Zeng

  DOI：10.1021/ja1035804

  日期：2010.7.21

  In this work, we illustrated a novel design strategy that allows systematically tunable interior properties (effective cavity size, steric crowdedness, and hydrophobicity) contained within a novel class of shape-persistent aromatic pentamers to take place on a scale below 3 angstrom. Such finely tunable structural features are complimented by experimentally observable functional variations in ion-binding potential. Results of the selective, differential binding affinities of three circular pentamers for Li(+), Na(+), K(+), Rb(+), and Cs(+), substantiated by metal-containing crystal structures and computational modeling, are detailed.