4-Benzyl-2,3,5,6-tetrafluorobenzoic acid | 79538-01-5

• 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-Benzyl-2,3,5,6-tetrafluorobenzoic acid
• CAS: 79538-01-5
• 化学式: C₁₄H₈F₄O₂
• 分子量: 284.21
• InChiKey: IESIHRVVKSZFFF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-Benzyl-2,3,5,6-tetrafluorobenzoic acid 生成 (4-Benzyl-2,3,5,6-tetrafluorophenyl)methanol
  参考文献：
  名称：

  PUNJA, NAZIM

  摘要：

  DOI：
• 作为产物：
  描述：

  3-benzyl-1,2,4,5-tetrafluorobenzene 生成 4-Benzyl-2,3,5,6-tetrafluorobenzoic acid
  参考文献：
  名称：

  PUNJA, NAZIM

  摘要：

  DOI：

文献信息

• Substituted benzyl esters of cyclopropane carboxylic acids and their preparation, compositions containing them and methods of combating insect pests therewith, and substituted benzyl alcohols
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：EP0031199A1

  公开（公告）日：1981-07-01

  This invention relates to novel esters, useful as insecticides, of formula:- where R1 and R2 are methyl, halomethyl or halo; X is oxygen, sulphur, sulphonyl or NR4 where R4 is hydrogen, alkyl or carboxylic acyl; R3 is alkyl, alkenyl or benzyl and additionally R3 may be hydrogen when X is NR4; m =0 or 1 and n = 1 to 4. The compounds may be prepared by esterification processes from the corresponding benzyl alcohols which are also new compounds.

  本发明涉及可用作杀虫剂的新型酯类，其式如下 其中 R1 和 R2 是甲基、卤代甲基或卤代；X 是氧、硫、磺酰基或 NR4，其中 R4 是氢、烷基或羧酰基；R3 是烷基、烯基或苄基，此外，当 X 是 NR4 时，R3 可能是氢；m =0 或 1，n = 1 至 4。 这些化合物可通过酯化工艺从相应的苄醇制备，这些苄醇也是新化合物。
• Fluorobenzyl cyclopropane carboxylates, their preparation, compositions and use as insecticides
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：EP0060617A1

  公开（公告）日：1982-09-22

  Fluorobenzyl esters of tetramethylcyclopropane carboxylic acid in which the phenyl ring may also be substituted with halo, alkyl, alkenyl, alkoxy, alkylthio, amino, alkoxyalkyl or alkylaminoalkyl groups. A typical example is pentafluorobenzyl, 2,2,3,3-tetramethylcyclopropane carboxylate. The compounds and their compositions are useful as insecticides.

  四甲基环丙烷羧酸氟苄酯，其中的苯基环也可被卤代、烷基、烯基、烷氧基、烷硫基、氨基、烷氧基烷基或烷基氨基烷基取代。一个典型的例子是 2,2,3,3-四甲基环丙烷羧酸五氟苄酯。这些化合物及其组合物可用作杀虫剂。
• Synthesis of Tetrafluorinated Aromatic Amino Acids with Distinct Signatures in ¹⁹F NMR
  作者：Luoheng Qin、Christopher Sheridan、Jianmin Gao

  DOI：10.1021/ol203140n

  日期：2012.1.20

  Fluorinated amino acids serve as powerful tools in protein chemistry. We synthesized a series of pare-substituted tetrafluorophenylalanines via the regioselective S-NAr chemistry of the commercially available pentafluorophenylalanine Boc-Z. These novel unnatural amino acids display distinct F-19 NMR signatures, making them powerful tools for analyzing protein-membrane interactions with NMR spectroscopy.
• US4405640A
  申请人：——

  公开号：US4405640A

  公开（公告）日：1983-09-20
• US4429153A
  申请人：——

  公开号：US4429153A

  公开（公告）日：1984-01-31