2,4,5-三氟苯甲醚 | 5006-38-2

• 物质功能分类: 有机原料 - 有机氟化合物 - 氟苯甲醚系列
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 2,4,5-三氟苯甲醚
• 英文名称: 2,4,5-Trifluoroanisole
• 英文别名: 1,2,4-trifluoro-5-methoxybenzene
• CAS: 5006-38-2
• 化学式: C₇H₅F₃O
• mdl: MFCD00075566
• 分子量: 162.111
• InChiKey: SKYXLDSRLNRAPS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险等级：
  4.1
• 包装等级：
  III
• 危险类别：
  4.1
• 危险品运输编号：
  UN 1325

反应信息

• 作为反应物：
  描述：

  2,4,5-三氟苯甲醚 生成 methyl-(2,4,5-trifluorophenyl)oxidanium
  参考文献：
  名称：

  CHAMBERS R. D.; SARGENT C. R.; SILVESTER M. J., J. FLUOR. CHEM. 1980, 15, NO 3, 257-261

  摘要：

  DOI：
• 作为产物：
  描述：

  1,2,4,5-四氟苯 在 sodium methylate 作用下， 以 甲醇 为溶剂， 生成 2,4,5-三氟苯甲醚
  参考文献：
  名称：

  Chambers, Richard D.; Close, Deborah, Journal of the Chemical Society. Perkin transactions II, 1980, p. 778 - 780

  摘要：

  DOI：

文献信息

• 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE
  申请人：Horiuchi Yoshihiro

  公开号：US20120225876A1

  公开（公告）日：2012-09-06

  Disclosed is a compound represented by formula (1) or a pharmacologically acceptable salt thereof (In the formula, A represents a group that is represented by formula (A-1); R 1a and R 1b may be the same or different and each independently represents a C 1-6 alkyl group which may be substituted by one to three halogen atoms; m and n each independently represents an integer of 0-5; X 1 represents a hydroxyl group or an aminocarbonyl group; Z 1 represents a single bond or the like; and R 2 represents an optionally substituted C 1-6 alkyl group, an optionally substituted C 6-10 aryl group or the like.)

  公开了一种由公式(1)表示的化合物或其药理可接受的盐(在公式中，A代表由公式(A-1)表示的基团；R1a和R1b可以相同或不同，每个独立地表示一个可以由一个到三个卤素原子取代的C1-6烷基；m和n各自独立地表示0-5之间的整数；X1代表羟基或氨基甲酰基；Z1代表单键等；R2代表一个可选地取代的C1-6烷基，一个可选地取代的C6-10芳基等)。
• [EN] SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF<br/>[FR] BENZOFURANYLES ET BENZOXAZOLYLES SUBSTITUÉS ET LEURS UTILISATIONS
  申请人：KARYOPHARM THERAPEUTICS INC

  公开号：WO2017117406A1

  公开（公告）日：2017-07-06

  The invention generally relates to substituted benzofuranyl and substituted benzoxazolyl compounds, and more particularly to a compound represented by Structural Formula (I) or (II), or a pharmaceutically acceptable salt thereof, wherein the variables are as defined and described herein. The invention also includes the synthesis and use of a compound of Structural Formula A, or a pharmaceutically acceptable salt or composition thereof, e.g., in the treatment of cancer (e.g., mantle cell lymphoma), and other diseases and disorders.

  该发明通常涉及取代苯并呋喃基和取代苯并噁唑基化合物，更具体地涉及由结构式(I)或(II)表示的化合物，或其药学上可接受的盐，其中变量如本文所定义和描述。该发明还包括合成和使用结构式A的化合物，或其药学上可接受的盐或组合物，例如在治疗癌症（如外套细胞淋巴瘤）和其他疾病和紊乱方面。
• Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same
  申请人：Rheinheimer Joachim

  公开号：US20100304966A1

  公开（公告）日：2010-12-02

  Compounds of the formula I in which the substituents have the meaning given in the description, processes for preparing these compounds, compositions comprising them and their use for controlling harmful fungi.

  该式化合物I的取代基在描述中给出其含义，制备这些化合物的方法，包含它们的组合物以及它们用于控制有害真菌的用途。
• Fluorine analogs of dicamba and tricamba herbicides; synthesis and their pesticidal activity
  作者：Bogumiła Huras、Jerzy Zakrzewski、Krzysztof Żelechowski、Anna Kiełczewska、Maria Krawczyk、Jarosław Hupko、Katarzyna Jaszczuk

  DOI：10.1515/znb-2020-0179

  日期：2021.4.27

  Fluorine analogs of the dicamba and tricamba herbicides were synthesized. Their herbicide activities were compared with the activities of the pattern herbicides dicamba and tricamba.

  合成了麦草畏和麦草畏除草剂的氟类似物。将其除草剂活性与传统除草剂麦草畏和麦草畏的活性进行了比较。
• PROCESS FOR THE PREPARATION OF FLUORINATED ARYLMAGNESIUM DERIVATIVES AND PROCESS FOR THE PREPARATION OF (FLUORINATED ARYL)BORON COMPOUNDS
  申请人：NIPPON SHOKUBAI CO., LTD.

  公开号：EP0825195A1

  公开（公告）日：1998-02-25

  The first invention relates to a process for preparing fluorinated arylmagnesium derivatives by reacting a fluorinated aromatic compound with a halogenated hydrocarbon and magnesium in an ethereal solvent or a mixture thereof with a hydrocarbon. According to this process, the objective compound can efficiently be prepared in one reaction step at a low cost. The obtained arylmagnesium derivatives are useful as reagents for introducing fluorinated aromatic groups into various organic compounds. The second invention relates to a process for preparing (fluorinated aryl) boron compounds by adding an ethereal solution of a fluorinated arylmagnesium derivative and an ethereal solution of a boron halide to a hydrocarbon having a boiling point higher than that of the solvent and reacting the arylmagnesium derivative with the boron halide while distilling away the solvent. This process makes it possible to prepare objective boron compounds selectively and at a low cost, thus being industrially advantageous. The obtained boron compounds are useful as co-catalysts for metallocence catalysts.

  第一项发明涉及一种制备氟化芳基镁衍生物的工艺，其方法是将氟化芳香族化合物与卤代烃和镁在乙醚溶剂或其与烃的混合物中进行反应。根据该工艺，目标化合物可在一个反应步骤中高效制备，且成本低廉。得到的芳基镁衍生物可用作试剂，将氟化芳基引入各种有机化合物中。第二项发明涉及一种制备（氟化芳基）硼化合物的工艺，其方法是将氟化芳基镁衍生物的乙醚溶液和卤化硼的乙醚溶液加入沸点高于溶剂沸点的烃中，然后使芳基镁衍生物与卤化硼反应，同时蒸去溶剂。这种工艺可以选择性地制备客观存在的硼化合物，而且成本低廉，因此在工业上很有优势。获得的硼化合物可用作金属催化剂的助催化剂。