4-(2-trifluoromethylphenyl)butan-2-one

• 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-(2-trifluoromethylphenyl)butan-2-one
• 英文别名: 4-[2-(Trifluoromethyl)phenyl]butan-2-one
• 化学式: C₁₁H₁₁F₃O
• 分子量: 216.203
• InChiKey: FAFLWUBOONFUHF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(2-trifluoromethylphenyl)butan-2-one 在 titanium(IV) tetraethanolate 作用下， 以 四氢呋喃 为溶剂， 生成 2-methyl-N-(2-methyl-4-(2-(trifluoromethyl)phenyl)butan-2-yl)propane-2-sulfinamide
  参考文献：
  名称：

  Native Amino Group Directed Site-Selective ε-C(sp²)–H Iodination of Primary Amines

  摘要：

  DOI：

  10.1021/acs.orglett.2c04288
• 作为产物：
  描述：

  2-trifluoromethylbenzalacetone 在 镍 氢气 、 title compound 作用下， 以 乙酸乙酯 为溶剂， 反应 7.0h， 生成 4-(2-trifluoromethylphenyl)butan-2-one
  参考文献：
  名称：

  Aminoacetonitrile derivatives and their use for controlling parasites

  摘要：

  本发明涉及一般式（I）的化合物，其中R1，R2，X，Ar1和Ar2如权利要求1所定义，并涉及其任何对映体。该活性成分具有有利的农药性能。它们特别适用于控制温血动物中的寄生虫。

  公开号：

  US07091371B2

文献信息

• Synthesis of β-Aryl Ketones by Heck Arylation of Allylic Alcohols Catalysed by a Mcm-41-Supported Bidentate Nitrogen Palladium Complex
  作者：Yixiang Huang、Pingping Wang、Jiaqin Liu、Mingzhong Cai

  DOI：10.3184/174751913x13668131126257

  日期：2013.6

  The Heck arylation reaction of aryl iodides with allylic alcohols catalysed by an mesoporous silica (MCM-41)-supported bidentate nitrogen palladium complex [MCM-41-2N-Pd(OAc)2] proceeded smoothly in the presence of tetrabutylammonium chloride (TBAC) in DMF to afford β-aryl ketones in good to excellent yields. This heterogeneous palladium catalyst can be recovered by simple filtration and reused several

  在四丁基氯化铵 (TBAC) 存在下，由介孔二氧化硅 (MCM-41) 负载的双齿氮钯配合物 [MCM-41-2N-Pd(OAc)2] 催化芳基碘化物与烯丙醇的 Heck 芳基化反应顺利进行在 DMF 中以良好至极好的收率提供 β-芳基酮。这种多相钯催化剂可以通过简单的过滤回收并重复使用多次而不会降低活性。
• Nickel-Catalyzed Electrochemical Arylation of Activated Olefins
  作者：Sylvie Condon、Daniel Dupré、Gilles Falgayrac、Jean-Yves Nédélec

  DOI：10.1002/1099-0690(20021)2002:1<105::aid-ejoc105>3.0.co;2-j

  日期：2002.1

  Nickel-catalyzed electrochemical conjugate additions of substituted aryl bromides to activated olefins under recently optimized reaction conditions are reported. Good to high yields were obtained, whatever the nature of substituents in the meta- and para-positions of the benzene ring. In the ortho-substituted series, yields were good with electron-donating substituents, but low with electron-withdrawing

  据报道，在最近优化的反应条件下，镍催化的取代芳基溴化物与活化烯烃的电化学共轭加成。无论苯环的间位和对位取代基的性质如何，都获得了良好到高的产率。在邻位取代系列中，给电子取代基的产率良好，但吸电子基团的产率低。还研究了芳基氯化物的活化和芳基二卤化物的顺序功能化。
• Novel aminotransferase, gene encoding the same, and method of using them
  申请人：Ito Noriyuki

  公开号：US20100285544A1

  公开（公告）日：2010-11-11

  The invention relates to a novel aminotransferase, DNA encoding the enzyme, a recombinant vector into which the DNA has been introduced, and a transformant into which the vector has been introduced. Further, the invention also relates to a method for producing an optically active amino compound utilizing the enzyme or transformant. The aminotransferase of the invention has an ability of efficiently converting a ketone compound, particularly a cyclic ketone compound to an optically active amino compound. According to the invention, a method for efficiently producing an optically active amino compound, particularly an optically active cyclic amino compound is provided.

  本发明涉及一种新型氨基转移酶、编码该酶的DNA、已引入该DNA的重组载体以及已引入该载体的转化菌株。此外，本发明还涉及一种利用该酶或转化菌株生产光学活性氨基化合物的方法。本发明的氨基转移酶能够高效地将酮类化合物，尤其是环状酮类化合物转化为光学活性氨基化合物。根据本发明，提供了一种高效生产光学活性氨基化合物，尤其是光学活性环状氨基化合物的方法。
• NOVEL AMINOTRANSFERASE, GENE ENCODING THE SAME, AND METHODS OF USING THEM
  申请人：ITO NORIYUKI

  公开号：US20120164724A1

  公开（公告）日：2012-06-28

  The invention relates to a novel aminotransferase, DNA encoding the enzyme, a recombinant vector into which the DNA has been introduced, and a transformant into which the vector has been introduced. Further, the invention also relates to a method for producing an optically active amino compound utilizing the enzyme or transformant. The aminotransferase of the invention has an ability of efficiently converting a ketone compound, particularly a cyclic ketone compound to an optically active amino compound. According to the invention, a method for efficiently producing an optically active amino compound, particularly an optically active cyclic amino compound is provided.

  本发明涉及一种新型氨基转移酶、编码该酶的DNA、将该DNA引入的重组载体以及将该载体引入的转化体。此外，本发明还涉及利用该酶或转化体生产光学活性氨基化合物的方法。本发明中的氨基转移酶能够有效地将酮化合物，特别是环状酮化合物转化为光学活性氨基化合物。根据本发明，提供了一种有效生产光学活性氨基化合物，特别是光学活性环状氨基化合物的方法。
• NOVEL AMINO GROUP TRANSFERASE, GENE ENCODING THE SAME AND METHOD OF USING THE SAME
  申请人：Kaneka Corporation

  公开号：EP1889907A1

  公开（公告）日：2008-02-20

  The invention relates to a novel aminotransferase, DNA encoding the enzyme, a recombinant vector into which the DNA has been introduced, and a transformant into which the vector has been introduced. Further, the invention also relates to a method for producing an optically active amino compound utilizing the enzyme or transformant. The aminotransferase of the invention has an ability of efficiently converting a ketone compound, particularly a cyclic ketone compound to an optically active amino compound. According to the invention, a method for efficiently producing an optically active amino compound, particularly an optically active cyclic amino compound is provided.

  本发明涉及一种新型氨基转移酶、编码该酶的 DNA、导入该 DNA 的重组载体以及导入该载体的转化体。此外，本发明还涉及一种利用该酶或转化体生产光学活性氨基化合物的方法。本发明的氨基转移酶具有将酮化合物，特别是环酮化合物有效转化为光学活性氨基化合物的能力。根据本发明，提供了一种高效生产光学活性氨基化合物，特别是光学活性环状氨基化合物的方法。