4-trifluoromethylphenyl sodium | 585-59-1

• 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: 4-trifluoromethylphenyl sodium
• 英文别名: 1-Deutero-4-trifluormethyl-benzol；1-deuterio-4-trifluoromethyl-benzene；1-Deuterio-4-trifluormethyl-benzol；4-Deuterobenzotrifluoride；1-deuterio-4-(trifluoromethyl)benzene
• CAS: 585-59-1
• 化学式: C₇H₅F₃
• 分子量: 147.104
• InChiKey: GETTZEONDQJALK-MICDWDOJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  对三氟甲基苯胺 在 盐酸 、 氘代氯仿 、 sodium nitrite 作用下， 以 水 为溶剂， 反应 24.75h， 生成 4-trifluoromethylphenyl sodium
  参考文献：
  名称：

  Photoinduced Catalyst-Free Deuterodefunctionalization of Aryltriazenes with CDCl3

  摘要：

  DOI：

  10.1021/acs.orglett.4c01350

文献信息

• Exchange Reactions of Deuterated Benzene Derivatives with Potassium Amide in Liquid Ammonia^1a
  作者：George E. Hall、Richard Piccolini、John D. Roberts

  DOI：10.1021/ja01622a033

  日期：1955.9

  The rates of deuterium-protium exchange have been determined for o-, m- and p-deuterated fluorobenzene, benzotri-fluoride and anisole in liquid ammonia solution in the presence of potassium amide. The exchange rates were found to be greatest for the ortho compounds and smallest for the para compounds. Deuterobenzene and o-deuterotoluene reacted too slowly for convenient measurement. The results are

  已经确定了在氨化钾存在下在液氨溶液中邻、间和对氘化氟苯、三氟苯和苯甲醚的氘-氚交换率。发现邻位化合物的交换率最大，而对位化合物的交换率最小。氘代苯和邻氘代甲苯反应太慢，无法方便测量。根据取代基的综合感应和场效应的操作来解释结果，介观效应似乎不太重要。
• METHOD FOR SYNTHESIZING AROMATIC SODIUM COMPOUND
  申请人：KOBELCO ECO-SOLUTIONS CO., LTD.

  公开号：US20210388004A1

  公开（公告）日：2021-12-16

  A technique that can synthesize an aromatic sodium compound easily, in a short time, and efficiently through a small number of steps is constructed. The invention comprises a step A in which, in a reaction solvent, an alkyl halide compound represented by general formula I (R 1 —X 1 ) (wherein R 1 is an alkyl group and X 1 is a halogen atom) is reacted with a dispersion that is obtained by dispersing sodium into a dispersion solvent, thereby obtaining an alkyl sodium compound represented by general formula II (R 1 —Na) (wherein R 1 is the same as R 1 of general formula I); and a step B in which, a halogenated aromatic compound represented by general formula III (R 2 —X 2 ) (wherein, in the formula, R 2 is an aromatic group that may have a substituent that does not react with sodium, and X 2 is a halogen atom) is added into the reaction solvent after the step A to react with the alkyl sodium compound represented by general formula II (R 1 —Na), which has been obtained in the step A, thereby performing halogen-sodium exchange and obtaining an aromatic sodium compound represented by general formula IV (R 2 —Na).

  构建了一种可以通过少量步骤轻松、短时间和高效地合成芳香族钠化合物的技术。该发明包括步骤A，在反应溶剂中，将由通式I（R1—X1）表示的烷基卤化物化合物（其中R1是烷基基团，X1是卤素原子）与通过将钠分散到分散溶剂中获得的分散体反应，从而获得由通式II（R1—Na）表示的烷基钠化合物（其中R1与通式I中的R1相同）；以及步骤B，在步骤A之后向反应溶剂中加入由通式III（R2—X2）表示的卤代芳香化合物（在该式中，R2是可能具有不与钠反应的取代基的芳基，X2是卤素原子），与在步骤A中获得的由通式II（R1—Na）表示的烷基钠化合物反应，从而进行卤素-钠交换并获得由通式IV（R2—Na）表示的芳香族钠化合物。