2-((6-chloropyridin-3-yl)methoxy)benzoic acid | 1402209-28-2

• 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: 2-((6-chloropyridin-3-yl)methoxy)benzoic acid
• 英文别名: 2-[(6-chloropyridin-3-yl)methoxy]benzoic acid
• CAS: 1402209-28-2
• 化学式: C₁₃H₁₀ClNO₃
• 分子量: 263.68
• InChiKey: JPPXWPYCMSTCLR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  59.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-((6-chloropyridin-3-yl)methoxy)benzoic acid 在 4-二甲氨基吡啶 、 氯化亚砜 、 三乙胺 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 2.0h， 生成 2-((6-chloropyridin-3-yl)methoxy)-N-(cyanomethyl)-N-phenylbenzamide
  参考文献：
  名称：

  Novel salicylamide derivatives incorporating neonicotinoid pharmacophore: design, synthesis, characterization, and biological evaluation

  摘要：

  A series of novel salicylamide derivatives containing neonicotinoid pharmacophore were designed and synthesized via multi-step reactions. These compounds were characterized by satisfied spectrum analyses mainly including H-1 NMR and ESI-MS. The preliminary bioassays indicated that some of target compounds exhibited excellent insecticidal activities against Heliothis armigera and Plutella xylostella at the dosage of 31.25 mu g/mL.

  DOI：

  10.1007/s00044-012-0380-8
• 作为产物：
  描述：

  水杨酸甲酯 在 水 、 potassium carbonate 、 sodium hydroxide 作用下， 以 甲醇 、 乙腈 为溶剂， 生成 2-((6-chloropyridin-3-yl)methoxy)benzoic acid
  参考文献：
  名称：

  Synthesis and Bio-Evaluation of Novel Salicylic Acid-Oriented Thiourea Derivatives with Potential Applications in Agriculture

  摘要：

  通过多步反应方便地合成了一系列水杨酸导向的硫脲衍生物，主要包括烷基化、氯化、亲核取代和加成反应。通过红外光谱、氢核磁共振谱和质谱确认和表征了所有这些新合成衍生物的结构。初步的生物测定表明，这些新化合物对测试植物具有一定的除草活性或植物生长调节活性。

  DOI：

  10.2174/15701808113109990045

文献信息

• Novel amide-type ligand bearing bis-pyridine cores: Synthesis, spectral characterizations and X-ray structure analyses
  作者：Shaoyong Ke

  DOI：10.1016/j.molstruc.2016.04.012

  日期：2016.8

  Abstract The novel salicylamide-type ligand containing bis-pyridine moieties, i.e. 2-((6-chloropyridin-3-yl)methoxy)-N-(2-((6-chloropyridin-3-yl)methylthio)phenyl)benzamide, which has been successfully synthesized and characterized by typical spectroscopic techniques mainly including IR, 1H NMR and ESI-MS. The structure of target compound was further determined by single crystal X-ray diffraction method

  摘要 含有双吡啶部分的新型水杨酰胺型配体，即2-((6-氯吡啶-3-基)甲氧基)-N-(2-((6-氯吡啶-3-基)甲硫基)苯基)苯甲酰胺，已成功合成并通过典型的光谱技术进行表征，主要包括 IR、1H NMR 和 ESI-MS。通过单晶X射线衍射法进一步确定了目标化合物的结构，该化合物在空间群为P2(1)/c的单斜晶系中结晶。
• Novel salicylic acid-oriented thiourea-type receptors as colorimetric chemosensor: Synthesis, characterizations and selective naked-eye recognition properties
  作者：Shaowei Li、Xiufang Cao、Changshui Chen、Shaoyong Ke

  DOI：10.1016/j.saa.2012.04.102

  日期：2012.10

  Based on the salicylic acid backbone, three highly sensitive and selective colorimetric chemosensors with an acylthiourea binding unit have been designed, synthesized and characterized. These chemosensors have been utilized for selective recognition of fluoride anions in dry DMSO solution by typical spectroscopic titration techniques. Furthermore, the obtained chemosensors AR1-3 have shown naked-eye sensitivity for detection of biologically important fluoride ion over other anions in solution. (C) 2012 Elsevier B.V. All rights reserved.