methyl 2,3,5-trifluorobenzoate | 773873-73-7

• 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: methyl 2,3,5-trifluorobenzoate
• CAS: 773873-73-7
• 化学式: C₈H₅F₃O₂
• 分子量: 190.122
• InChiKey: QPGISBCCZGVQNJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  五氟苯甲酸甲酯 在 fac-tris(2-phenylpyridinato-N,C2')iridium(III) 、 N,N-二异丙基乙胺 作用下， 以 氘代苯 、 乙腈 为溶剂， 以92 %的产率得到methyl 2,3,5-trifluorobenzoate
  参考文献：
  名称：

  分子雕刻：通过苯甲酸盐的光催化加氢脱氟加快获得各种氟化芳烃的多用途工具

  摘要：

  从高度氟化的苯甲酸酯开始，我们开发了氟化苯甲酸芳基酯的定向光催化加氢脱氟 (HDF)，并展示了它与其他 HDF 策略的协同作用，以及 C-H 芳基化、脱羧偶联和脱羧质子化，以获得大多数氟化模式苯甲酸酯衍生物，并通过分子雕刻方法扩展苯衍生物。温和的反应条件和出色的区域选择性使该方法成为合成的理想选择。这种方法提供了从几种高度氟化的市售苯甲酸中获得 16 种具有不同氟化模式的苯甲酸酯衍生物的途径。我们为西格列汀、二氟尼柳和其他药学上重要的分子合成关键中间体或活性药物成分。重要的，我们提供了关于相对脱氟率和改变这些率的策略的重要见解。我们展示了 HDF 和相关技术的协同使用，以快速提高这些简单的商用全氟芳烃的合成复杂性，从而形成复杂的部分氟化分子。

  DOI：

  10.1021/acs.joc.2c02332

文献信息

• Photocatalytic Hydrodefluorination: Facile Access to Partially Fluorinated Aromatics
  作者：Sameera M. Senaweera、Anuradha Singh、Jimmie D. Weaver

  DOI：10.1021/ja500031m

  日期：2014.2.26

  science as well as the pharmaceutical and agrochemical industries and yet are often difficult to access. This Communication describes a photocatalytic hydrodefluorination approach which begins with easily accessible perfluoroarenes and selectively reduces the C-F bonds. The method allows facile access to a number of partially fluorinated arenes and takes place with unprecedented catalytic activity

  多氟芳烃对于材料科学以及制药和农业化学工业至关重要，但通常很难获得。该通讯描述了一种光催化加氢脱氟方法，该方法从容易获得的全氟芳烃开始并选择性地减少 CF 键。该方法可以轻松获得许多部分氟化的芳烃，并且使用安全且廉价的胺作为还原剂以前所未有的催化活性发生。
• Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors
  申请人：Mjalli Adnan M.M.

  公开号：US20090326006A1

  公开（公告）日：2009-12-31

  The present invention is directed to benzazole compounds that inhibit β-site amyloid precursor protein-cleaving enzyme (BACE) and that may be useful in the treatment or prevention of diseases in which BACE is involved, such as Alzheimer's disease. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which BACE is involved.

  本发明涉及抑制β位点淀粉样前体蛋白剪切酶（BACE）的苯并唑化合物，可用于治疗或预防BACE参与的疾病，如阿尔茨海默病。本发明还涉及包含这些化合物的药物组合物，以及在预防或治疗BACE参与的这些疾病中使用这些化合物和组合物的用途。
• Esterification of fluorinated aromatic carboxylic acids with methanol by using UiO-66-NH₂ as a heterogeneous catalyst and process optimization by the Taguchi method
  作者：Anuj Kumar、Satish Kumar Singh、Chhaya Sharma

  DOI：10.1039/d3ra02005c

  日期：——

  Fluorobenzoic acids (FBAs) are used as chemical tracers in enhanced oil recovery and reduction in their limit of detection is a crucial issue. GC-MS is a versatile tool to detect and quantify FBAs at very low limits of concentration, but they require esterification prior to analysis by GC-MS. The present article presents a study of the catalytic methyl esterification of fluorinated aromatic carboxylic acids

  氟苯甲酸（FBA）用作提高石油采收率的化学示踪剂，降低其检测限是一个关键问题。 GC-MS 是一种多功能工具，可在极低浓度限度下检测和定量 FBA，但在 GC-MS 分析之前需要进行酯化。本文介绍了使用甲醇作为甲基源和UiO-66-NH 2作为多相催化剂催化氟化芳香族羧酸(FBA)甲酯化的研究。反应时间缩短至10小时，比传统的BF 3 ·MeOH络合物作为衍生剂缩短了58%。酯化反应的产率根据BF 3 -MeOH络合物进行评估并通过GC-EI-MS测定。催化过程通过田口模型进行优化，拟合率为 99.99%。 23种不同的氟化芳香酸异构体均表现出良好的催化性能，相对转化率高达169.86%，将FBA的检测限降低至2.60 ng mL -1 。
• FLUORINE-CONTAINING COPOLYMER COMPOSITION AND PROCESS FOR PRODUCTION THEREOF
  申请人：Asahi Glass Company, Limited

  公开号：EP2338935B1

  公开（公告）日：2012-12-12
• FLUOROCOPOLYMER COMPOSITION AND ITS PRODUCTION PROCESS
  申请人：Nakano Takashi

  公开号：US20110172336A1

  公开（公告）日：2011-07-14

  To provide a composition comprising a fluorocopolymer such as an ethylene/tetrafluoroethylene copolymer which can be produced at a relatively low temperature, and its production process. A fluorocopolymer composition which comprises a fluorocopolymer such as an ethylene/tetrafluoroethylene copolymer and a fluorinated aromatic compound having a melting point of at most 230° C. and having a fluorine content in the compound of from 5 to 75 mass %, and is in a solution state at a temperature of at most the melting point of the fluorocopolymer, and a process for producing the fluorocopolymer composition, which comprises a step of dissolving the fluorocopolymer in a solvent containing the fluorinated aromatic compound at a temperature of at most the melting point of the fluorocopolymer.