2-Phenyl-2-trifluormethyl-1,3-dithiolan | 122491-26-3

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫代缩醛
• 英文名称: 2-Phenyl-2-trifluormethyl-1,3-dithiolan
• 英文别名: 2-Phenyl-2-(trifluoromethyl)-1,3-dithiolane
• CAS: 122491-26-3
• 化学式: C₁₀H₉F₃S₂
• 分子量: 250.309
• InChiKey: VWHDLVLOHVGONA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  50.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-Phenyl-2-trifluormethyl-1,3-dithiolan 在 potassium permanganate 、 18-冠醚-6 、 间氯过氧苯甲酸 作用下， 以 二氯甲烷 、 水 、 溶剂黄146 为溶剂， 25.0~600.0 ℃ 、6.67 Pa 条件下， 反应 28.0h， 生成 3-Phenyl-3-trifluormethyl-2-thiabicyclo<2.2.1>hept-5-en-2-oxid
  参考文献：
  名称：

  Schuler, Bernhard; Sundermeyer, Wolfgang, Chemische Berichte, 1990, vol. 123, # 1, p. 177 - 184

  摘要：

  DOI：
• 作为产物：
  描述：

  2,2,2-三氟苯乙酮 、 1,2-乙二硫醇 在 三氟化硼乙醚 作用下， 以 氯仿 为溶剂， 反应 7.0h， 以96%的产率得到2-Phenyl-2-trifluormethyl-1,3-dithiolan
  参考文献：
  名称：

  Schuler, Bernhard; Sundermeyer, Wolfgang, Chemische Berichte, 1990, vol. 123, # 1, p. 177 - 184

  摘要：

  DOI：

文献信息

• Process for the production of fluorinated organic compounds and fluorinating agents
  申请人：——

  公开号：US20030176747A1

  公开（公告）日：2003-09-18

  A process for the production of a fluorinated organic compound, characterized by fluorinating an organic compound having a hydrogen atoms using IF 5 ; and a novel fluorination process for fluorinating an organic compound having a hydrogen atoms by using a fluorinating agent containing IF 5 and at least one member selected from the group consisting of acids, bases, salts and additives.

  一种用IF5对含有氢原子的有机化合物进行氟化的生产过程；以及一种新颖的氟化过程，通过使用含有IF5和来自酸、碱、盐和添加剂组成的至少一种成员的氟化剂对含有氢原子的有机化合物进行氟化。
• METHOD FOR PRODUCING FLUORINATED ORGANIC COMPOUND AND FLUORINATING REAGENT
  申请人：DAIKIN INDUSTRIES, LTD.

  公开号：US20150315136A1

  公开（公告）日：2015-11-05

  Object: An object of the present invention is to provide a method for producing, with a high yield, a fluorinated organic compound, the fluorinated organic compound having not been produced with a sufficient yield by a conventional method for producing a fluorinated organic compound using a fluorinating agent containing IF 5 -pyridine-HF alone. Another object of the present invention is to provide a fluorinating reagent. Means for achieving the object: A method for producing a fluorinated organic compound comprising step A of fluorinating an organic compound by bringing the organic compound into contact with (1) IF 5 -pyridine-HF and (2) at least one additive selected from the group consisting of amine hydrogen fluorides, X a F (wherein X a represents hydrogen, potassium, sodium, or lithium), oxidizers, and reducing agents.

  本发明的目的是提供一种高产的制备氟化有机化合物的方法，该氟化有机化合物通过使用仅含有IF5-吡啶-HF的氟化剂制备的传统方法无法获得足够的产量。本发明的另一个目的是提供一种氟化试剂。实现该目的的手段是提供一种制备氟化有机化合物的方法，包括步骤A：通过将有机化合物与(1)IF5-吡啶-HF和(2)至少选择自胺氢氟化物、XaF(其中X代表氢、钾、钠或锂)、氧化剂和还原剂组成的群体中的至少一种添加剂接触来进行氟化。
• PROCESSES FOR THE PRODUCTION OF FLUORINATED ORGANIC COMPOUNDS AND FLUORINATING AGENTS
  申请人：Daikin Industries, Ltd.

  公开号：EP1304316A1

  公开（公告）日：2003-04-23

  A process for the production of a fluorinated organic compound, characterized by fluorinating an organic compound having a hydrogen atoms using IF5; and a novel fluorination process for fluorinating an organic compound having a hydrogen atoms by using a fluorinating agent containing IF5 and at least one member selected from the group consisting of acids, bases, salts and additives.

  一种生产含氟有机化合物的工艺，其特征在于使用 IF5 对具有氢原子的有机化合物进行氟化；以及一种新型氟化工艺，通过使用含有 IF5 的氟化剂和至少一种选自酸、碱、盐和添加剂组成的组的成员，对具有氢原子的有机化合物进行氟化。
• COMPOSITION, FLUORINATING REAGENT, AND METHOD FOR PRODUCING FLUORINATED ORGANIC COMPOUND
  申请人：Daikin Industries, Ltd.

  公开号：EP3287431A1

  公开（公告）日：2018-02-28

  An object of the present invention is to provide a method for producing a fluorinated organic compound with a high yield without using carbon tetrachloride in view of the fact that the production of a fluorinated organic compound with a sufficient yield was impossible for a hitherto-known method that uses a fluorinating agent that contains IF5-pyridine-HF alone. Another object of the present invention is to provide a fluorinating reagent that is capable of achieving this object. The present invention provides a composition comprising (1) IF5 and (2) an aprotic solvent (with the proviso that carbon tetrachloride is excluded), wherein the aprotic solvent is contained in an amount within a range of 50 mass ppm to 20 mass%.

  本发明的一个目的是提供一种不使用四氯化碳就能高产率生产含氟有机化合物的方法，因为以前已知的仅使用含有 IF5-吡啶-HF的氟化剂的方法无法生产出足够产率的含氟有机化合物。本发明的另一个目的是提供一种能够实现这一目的的氟化试剂。本发明提供了一种组合物，该组合物包含 (1) IF5 和 (2) 一种壬烷溶剂（但不包括四氯化碳），其中壬烷溶剂的含量在 50 质量ppm 至 20 质量％的范围内。
• Composition, fluorinating reagent, and method for producing fluorinated organic compound
  申请人：DAIKIN INDUSTRIES, LTD.

  公开号：US11091432B2

  公开（公告）日：2021-08-17

  An object of the present invention is to provide a method for producing a fluorinated organic compound with a high yield without using carbon tetrachloride in view of the fact that the production of a fluorinated organic compound with a sufficient yield was impossible for a hitherto-known method that uses a fluorinating agent that contains IF5-pyridine-HF alone. Another object of the present invention is to provide a fluorinating reagent that is capable of achieving this object. The present invention provides a composition comprising (1) IF5 and (2) an aprotic solvent (with the proviso that carbon tetrachloride is excluded), wherein the aprotic solvent is contained in an amount within a range of 50 mass ppm to 20 mass %.

  本发明的一个目的是提供一种不使用四氯化碳就能高产率生产含氟有机化合物的方法，因为以前已知的仅使用含有 IF5-吡啶-HF的氟化剂的方法无法生产出足够产率的含氟有机化合物。本发明的另一个目的是提供一种能够实现这一目的的氟化试剂。本发明提供了一种组合物，该组合物包含 (1) IF5 和 (2) 一种烷基溶剂（但不包括四氯化碳），其中烷基溶剂的含量在 50 质量 ppm 至 20 质量 % 的范围内。