pyridine; benzoate | 3427-97-2

• 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: pyridine; benzoate
• 英文别名: Pyridin; Benzoat；pyridium benzoate；Pyridine benzoate；benzoic acid;pyridine
• CAS: 3427-97-2
• 化学式: C₅H₅N*C₇H₆O₂
• 分子量: 201.225
• InChiKey: MRBFBZXMHKMEKW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.55
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  54.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  吡啶 、 苯甲酸 以 氘代甲醇 为溶剂， 生成 pyridine; benzoate
  参考文献：
  名称：

  Bringing a Molecular Plus One: Synergistic Binding Creates Guest-Mediated Three-Component Complexes

  摘要：

  C-ethyl-2-methylresorcinarene (A), pyridine (B), and a set of 10 carboxylic acids (Cn) associate to form A.B.Cn ternary assemblies with 1:1:1 stoichiometry, representing a useful class of ternary systems where the guest mediates complex formation between the host and a third component. Although individually weak in solution, the combined strength of the multiple noncovalent interactions organizes the complexes even in a highly hydrogen-bond competing methanol solution, as explored by both experimental and computational methods. The interactions between A.B and Cn are dependent on the pK(a) values of carboxylic acids. The weak interactions between A and C further reinforce the interactions between A and B, demonstrating positive cooperativity. Our results reveal that the two-component system such as that formed by A and B can form the basis for the development of specific sensors for the molecular recognition of carboxylic acids.

  DOI：

  10.1021/acs.joc.0c00220
• 作为试剂：
  描述：

  2,4-噻唑烷二酮 、 1-(4'-formylbenzoyl)-4-octadecylpiperazine 在 pyridine; benzoate 作用下， 以 甲苯 为溶剂， 反应 3.0h， 以46%的产率得到[4-(4'-octadecylpiperazin-1'-ylcarbonyl)benzylidene]-1,3-thiazolidine-2,4-dione
  参考文献：
  名称：

  Novel inhibitor compounds specific of secreted non-pancreatic human a2phospholipase of group II

  摘要：

  本发明涉及以下式（I）的化合物以及含有该化合物的药物组合物：其中D、Y、A、B、p、q、W和R的含义与规范中定义的含义相同。

  公开号：

  US20050075345A1

文献信息

• [EN] ISOXAZOLE CARBOXYLIC ACIDS AS LPA ANTAGONISTS<br/>[FR] ACIDES ISOXAZOLE CARBOXYLIQUES EN TANT QU'ANTAGONISTES DE LPA
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2020257138A1

  公开（公告）日：2020-12-24

  The present invention provides compounds of Formula (I) or a stereoisomer, tautomer, or pharmaceutically acceptable salt or solvate thereof, wherein all the variables are as defined herein. These compounds are selective LPA receptor inhibitors.

  本发明提供了式（I）的化合物或其立体异构体、互变异构体或药学上可接受的盐或溶剂，其中所有变量如本文所定义。这些化合物是选择性LPA受体抑制剂。
• [EN] CYCLOBUTYL CARBOXYLIC ACIDS AS LPA ANTAGONISTS<br/>[FR] ACIDES CYCLOBUTYL-CARBOXYLIQUES UTILISÉS COMME ANTAGONISTES DE LPA
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2020257139A1

  公开（公告）日：2020-12-24

  The present invention provides compounds of Formula (I): (I), or a stereoisomer, tautomer, or pharmaceutically acceptable salt or solvate thereof, wherein all the variables are as defined herein. These compounds are selective LPA receptor inhibitors.

  本发明提供公式（I）的化合物：（I），或其立体异构体，互变异构体，或其药学上可接受的盐或溶剂，其中所有变量如本文所定义。这些化合物是选择性LPA受体抑制剂。
• CO-CRYSTAL INTERMEDIATES OF ROSUVASTATIN AND METHODS OF USING SAME
  申请人：F.I.S. Fabbrica Italiana Sintetici S.p.A.

  公开号：US20130143890A1

  公开（公告）日：2013-06-06

  Methods for the preparation of Rosuvastatin by co-crystals of Rosuvastatin or intermediates are provided. Also provided are co-crystals, pharmaceutical compositions which include such co-crystals and methods for treating conditions associated with hypercholesterolemia by administering such compositions.

  本文提供了一种通过Rosuvastatin或其中间体的共晶体制备Rosuvastatin的方法。同时还提供了共晶体、包括这些共晶体的制药组合物以及通过给予这些组合物治疗与高胆固醇血症相关的疾病的方法。
• Synthesis of rosuvastatin by means of co-crystals
  申请人：F.I.S. Fabbrica Italiana Sintetici S.p.A.

  公开号：EP2602249A1

  公开（公告）日：2013-06-12

  The present invention is related to a process for the preparation of Rosuvastatin by means of new intermediates which are co-crystals of Rosuvastatin.

  本发明涉及一种利用瑞舒伐他汀的共晶体新中间体制备瑞舒伐他汀的工艺。
• MANUFACTURING OF SKIN-COMPATIBLE ELECTRODES
  申请人：Nederlandse Organisatie voor toegepast- natuurwetenschappelijk Onderzoek TNO

  公开号：EP3705035A1

  公开（公告）日：2020-09-09

  A method of manufacturing a skin-compatible electrode (100) comprises printing a circuit pattern (P1) onto a flexible substrate (200) to form an electrically conductive pattern including an electrode pad area (301). A layer of an adhesive composition (401p) is printed in a second pattern (P2) onto the electrode pad area (301) to form an adhesive interface layer (401). The adhesive interface layer (401) is a dry film formed from the adhesive composition (401p) comprising an ionically conductive pressure sensitive adhesive composition comprising a resin (R), an ionic liquid (I), and optionally electrically conductive particles (P). A layer thickness and material of the flexible substrate, the conductive pattern, and the conductive adhesive interface have relatively low stiffness in plane of the flexible substrate (200).

  一种制造皮肤兼容电极（100）的方法包括在柔性基板（200）上印刷电路图案（P1），以形成包括电极垫区域（301）的导电图案。在电极垫区域（301）上以第二图案（P2）印刷一层粘合剂组合物（401p），以形成粘合剂界面层（401）。粘合剂界面层（401）是由粘合剂组合物（401p）形成的干膜，粘合剂组合物包括由树脂（R）、离子液体（I）和可选导电颗粒（P）组成的离子导电压敏粘合剂组合物。柔性基板、导电图案和导电粘合剂界面的层厚度和材料在柔性基板（200）平面上具有相对较低的刚度。