5-(2,2,2-trifluoroethyl)dihydrofuran-2(3H)-one | 1046864-65-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酯类
• 英文名称: 5-(2,2,2-trifluoroethyl)dihydrofuran-2(3H)-one
• 英文别名: 5-(2,2,2-Trifluoroethyl)tetrahydrofuran-2-one；5-(2,2,2-trifluoroethyl)oxolan-2-one
• CAS: 1046864-65-6
• 化学式: C₆H₇F₃O₂
• 分子量: 168.116
• InChiKey: KZWWCAYSDXDHPN-UHFFFAOYSA-N

物化性质

• 沸点：
  200.5±35.0 °C(Predicted)
• 密度：
  1.290±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 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：

  4-戊烯酸 、 Umemoto's reagent 在 dipotassium hydrogenphosphate 、 tris(2,2-bipyridine)ruthenium(II) hexafluorophosphate 作用下， 以 丙酮 为溶剂， 反应 2.5h， 以60%的产率得到5-(2,2,2-trifluoroethyl)dihydrofuran-2(3H)-one
  参考文献：
  名称：

  通过光氧化还原催化的烯酮酸的羰基化反应对CF 3取代的内酯进行高度区域选择性和非对映选择性合成

  摘要：

  已经开发了通过光氧化还原催化的末端和内部链烷酸的三氟甲基内酯化。Ru的光催化剂和梅本试剂作为CF 3来源的使用是当前碳酰化的关键。这是从内部链烷酸高度内切和非对映选择性合成CF 3取代的五元，六元和七元环内酯的第一个例子。

  DOI：

  10.1021/ol403500y

文献信息

• Copper-Catalyzed Oxytrifluoromethylation of Unactivated Alkenes
  作者：Rong Zhu、Stephen L. Buchwald

  DOI：10.1021/ja305840g

  日期：2012.8.1

  A mild, versatile, and convenient method for the efficient oxytrifluoromethylation of unactivated alkenes based on a copper-catalyzed oxidative difunctionalization strategy has been developed. This methodology provides access to a variety of classes of synthetically useful CF(3)-containing building blocks from simple starting materials.

  基于铜催化的氧化双官能化策略，开发了一种温和、通用且方便的未活化烯烃的高效氧三氟甲基化方法。该方法提供了从简单的起始材料获得多种合成有用的含 CF(3) 的结构单元的途径。
• LIQUID ELECTROLYTE, AND METHOD FOR MANUFACTURING PHOSPHATE
  申请人：DAIKIN INDUSTRIES, LTD.

  公开号：US20190081358A1

  公开（公告）日：2019-03-14

  A method for manufacturing a phosphate, which includes reacting, in a solvent, an organophosphate represented by the following formula (2) and an alkali metal hydroxide in an amount of 1.01 mole equivalents or more relative to the organophosphate to provide a composition containing a phosphate represented by the following formula (1), the alkali metal hydroxide, and the solvent; and adding hydrogen fluoride to the composition to neutralize the composition and to precipitate an alkali metal fluoride, thereby providing a composition containing the precipitated alkali metal fluoride, the phosphate represented by the formula (1), and the solvent. The formula (1) is (R 11 O)(R 12 O)PO 2 M, where R 11 , R 12 and M are as defined herein. The formula (2) is (R 21 O)(R 22 O)(R 23 O)PO, where R 21 , R 22 , and R 23 are as defined herein.

  一种制造磷酸盐的方法，包括在溶剂中反应以下式（2）所代表的有机磷酸盐和相对于有机磷酸盐的1.01摩尔当量或更多的碱金属氢氧化物，以提供含有以下式（1）所代表的磷酸盐、碱金属氢氧化物和溶剂的组合物；并向该组合物中添加氟化氢以中和该组合物并沉淀出碱金属氟化物，从而提供含有沉淀的碱金属氟化物、以下式（1）所代表的磷酸盐和溶剂的组合物。式（1）为（R11O）（R12O）PO2M，其中R11、R12和M如本文所定义。式（2）为（R21O）（R22O）（R23O）PO，其中R21、R22和R23如本文所定义。
• ELECTROLYTIC SOLUTION, ELECTROCHEMICAL DEVICE, LITHIUM ION SECONDARY BATTERY, AND MODULE
  申请人：DAIKIN INDUSTRIES, LTD.

  公开号：US20200280096A1

  公开（公告）日：2020-09-03

  An electrolyte solution containing a compound represented by the following formula (1): wherein R 101 and R 102 are the same as or different from each other and are each a hydrogen atom, a fluorine atom, or an alkyl group optionally containing a fluorine atom; and R 103 is an alkyl group or an organic group containing an unsaturated carbon-carbon bond. Also disclosed is an electrochemical device and lithium ion secondary battery including the electrolyte solution, and a module including the electrochemical device or lithium ion secondary battery.

  一种电解质溶液，包含由以下化学式（1）表示的化合物：其中R101和R102彼此相同或不同，分别为氢原子、氟原子或含有氟原子的烷基基团；R103为烷基基团或含有不饱和碳-碳键的有机基团。还公开了包括该电解质溶液的电化学器件和锂离子二次电池，以及包括电化学器件或锂离子二次电池的模块。
• ELECTROLYTE FOR LITHIUM ION SECONDARY BATTERY, LITHIUM ION SECONDARY BATTERY, AND MODULE
  申请人：DAIKIN INDUSTRIES, LTD.

  公开号：US20200203769A1

  公开（公告）日：2020-06-25

  An electrolyte solution for a lithium ion secondary battery, containing a compound (1) represented by the following formula (1): wherein R 1 and R 2 are each independently a C1-C4 alkyl group optionally containing an ether bond, and wherein chloride ion is present at a concentration of 1.0×10 −6 to 1.0×10 3 ppm. Also disclosed is an electrolyte solution for a lithium ion secondary battery, containing an imidazolium cation (1-1) represented by the following formula (1-1), a bis(oxalato)borate anion, and a hexafluorophosphate anion, the formula (1-1) being: wherein R 1 and R 2 are each independently a C1-C4 alkyl group optionally containing an ether bond, and wherein chloride ion is present at a concentration of 1.0×10 −6 to 1.0×10 3 ppm.

  一种用于锂离子二次电池的电解质溶液，包含一种由以下化学式（1）表示的化合物（1）：其中R1和R2分别独立地是含有醚键的C1-C4烷基基团，并且氯化物离子的浓度为1.0×10-6至1.0×103ppm。还公开了一种用于锂离子二次电池的电解质溶液，包含由以下化学式（1-1）表示的咪唑阳离子（1-1），一种双（草酸盐）硼酸根离子和一种六氟磷酸根离子，其中化学式（1-1）为：其中R1和R2分别独立地是含有醚键的C1-C4烷基基团，并且氯化物离子的浓度为1.0×10-6至1.0×103ppm。
• ELECTROLYTE, ELECTROCHEMICAL DEVICE, LITHIUM ION SECONDARY BATTERY, AND MODULE
  申请人：DAIKIN INDUSTRIES, LTD.

  公开号：US20210246098A1

  公开（公告）日：2021-08-12

  An electrolyte solution containing a compound represented by the following formula (1). In the formula, Rf 101 is CF 3 —, CF 2 H—, or CFH 2 —, and R 101 is an optionally fluorinated C2-C5 alkenyl group or an optionally fluorinated C2-C8 alkynyl group and optionally contains Si in a structure:

  含有以下公式（1）所代表的化合物的电解质溶液。在该公式中，Rf101是CF3—、CF2H—或CFH2—，而R101是一个可选择氟化的C2-C5烯基或一个可选择氟化的C2-C8炔基，并且在结构中可含有Si。