2,2,2-三氟-1-(4-肼基苯基)乙酮 | 350040-14-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2,2,2-三氟-1-(4-肼基苯基)乙酮
• 英文名称: 4-trifluoroacetylphenylhydrazine
• 英文别名: 2,2,2-Trifluoro-1-(4-hydrazinylphenyl)ethan-1-one；2,2,2-trifluoro-1-(4-hydrazinylphenyl)ethanone
• CAS: 350040-14-1
• 化学式: C₈H₇F₃N₂O
• 分子量: 204.152
• InChiKey: PJQFQKAOYFOVLI-UHFFFAOYSA-N

物化性质

• 沸点：
  300.7±42.0 °C(Predicted)
• 密度：
  1.417±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  55.1
• 氢给体数：
  2
• 氢受体数：
  6

安全信息

• 海关编码：
  2928000090

反应信息

• 作为反应物：
  描述：

  2,2,2-三氟-1-(4-肼基苯基)乙酮 在 吡啶 、 lead(IV) acetate 、 盐酸羟胺 、 氨 、 三乙胺 作用下， 以 乙醚 、 乙醇 、 氯仿 、 丙酮 、 乙腈 为溶剂， 反应 6.34h， 生成 ethyl 2-(4-trifluoromethyldiazirinylphenyl)diazene carboxylate
  参考文献：
  名称：

  Trifluoromethyldiazirinylphenyldiazenes:  New Hemoprotein Active-Site Probes

  摘要：

  The photoactivatable trifluoromethyldiazirinylphenyldiazene probes 1a and 2a have been synthesized, and their utility in the mapping of hemoprotein active sites has been validated with myoglobin (Mb). Reaction of the probes with Mb yields Fe-aryl adducts. Photolysis of these adducts unmasks a carbene that cross-links to active-site protein residues. Migration of the aryl group from the iron to a porphyrin nitrogen then attaches the porphyrin chromophore to the labeled amino acid residue. Tryptic digestion of the labeled proteins followed by mass spectrometric analysis of the peptides has identified Leu-29, His-64, Ile-107, and Val-68 as active-site residues. Previous studies with an arylnitrene probe, which appears to only react with nucleophilic groups, identified His-64 as an active-site residue [Tschirret-Guth, R. A.; Medzihradszky, K. F.; Ortiz de Montellano, P. R. J. Am. Chem. Sec. 1998, 120, 7404-7410]. These studies have identified all but one of the active-site amino acids in contact with the probe. The present strategy not only labels active-site amino acids but also, because the probe is rigidly held in the active site, provides approximate locations for the labeled residues with respect to the heme iron atom. Validation of the Strategy with myoglobin opens the way to use of the approach with hemoproteins of unknown active-site structure.

  DOI：

  10.1021/ja990351h
• 作为产物：
  描述：

  2,2,2,4'-四氟苯乙酮 在 肼 作用下， 以 二甲基亚砜 为溶剂， 反应 1.0h， 生成 2,2,2-三氟-1-(4-肼基苯基)乙酮
  参考文献：
  名称：

  Trifluoromethyldiazirinylphenyldiazenes:  New Hemoprotein Active-Site Probes

  摘要：

  The photoactivatable trifluoromethyldiazirinylphenyldiazene probes 1a and 2a have been synthesized, and their utility in the mapping of hemoprotein active sites has been validated with myoglobin (Mb). Reaction of the probes with Mb yields Fe-aryl adducts. Photolysis of these adducts unmasks a carbene that cross-links to active-site protein residues. Migration of the aryl group from the iron to a porphyrin nitrogen then attaches the porphyrin chromophore to the labeled amino acid residue. Tryptic digestion of the labeled proteins followed by mass spectrometric analysis of the peptides has identified Leu-29, His-64, Ile-107, and Val-68 as active-site residues. Previous studies with an arylnitrene probe, which appears to only react with nucleophilic groups, identified His-64 as an active-site residue [Tschirret-Guth, R. A.; Medzihradszky, K. F.; Ortiz de Montellano, P. R. J. Am. Chem. Sec. 1998, 120, 7404-7410]. These studies have identified all but one of the active-site amino acids in contact with the probe. The present strategy not only labels active-site amino acids but also, because the probe is rigidly held in the active site, provides approximate locations for the labeled residues with respect to the heme iron atom. Validation of the Strategy with myoglobin opens the way to use of the approach with hemoproteins of unknown active-site structure.

  DOI：

  10.1021/ja990351h

文献信息

• [EN] TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES<br/>[FR] COMPOSÉS DE TÉTRAZOLINONE ET LEUR UTILISATION EN TANT QUE PESTICIDES
  申请人：SUMITOMO CHEMICAL CO

  公开号：WO2013162072A1

  公开（公告）日：2013-10-31

  The present invention provides a compound having an excellent efficacy for controlling pests. A tetrazolinone compound of a formula (1): [wherein R1 represents an C6-C16 aryl group, an C1-C12 alkyl group, or a C3-C12 cycloalkyl group, etc., which each optionally be substituted; R2, R3, R4 and R5 represent independently of each other a hydrogen atom, a halogen atom or an C1-C3 alkyl group, etc.; R6 represents an C1-C6 alkyl group, a C3-C6 cycloalkyl group, a halogen atom, a C1-C6 haloalkyl group, an C2-C6 alkenyl group, an C1-C6 alkoxy group, or a C1-C6 haloalkoxy group, etc.; R7, R8 and R9 represent independently of each other a hydrogen atom, a halogen atom, or an C1-C4 alkyl group, etc.; X represents an oxygen atom or a sulfur atom; and R10 represents an C1-C6 alkyl group, etc.] shows an excellent controlling efficacy on pests.

  本发明提供了一种具有优异杀虫效果的化合物。公式（1）的四唑酮化合物：[其中R1代表C6-C16芳基、C1-C12烷基或C3-C12环烷基等，每个都可以选择性地被取代；R2、R3、R4和R5分别独立地代表氢原子、卤素原子或C1-C3烷基等；R6代表C1-C6烷基、C3-C6环烷基、卤素原子、C1-C6卤代烷基、C2-C6烯基、C1-C6烷氧基或C1-C6卤代烷氧基等；R7、R8和R9分别独立地代表氢原子、卤素原子或C1-C4烷基等；X代表氧原子或硫原子；R10代表C1-C6烷基等]在杀虫方面表现出优异的控制效果。
• TETRAHYDROCARBAZOLE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS
  申请人：Fales Kevin Robert

  公开号：US20100022550A1

  公开（公告）日：2010-01-28

  The present invention provides a compound of the formula: Formula (I) or a pharmaceutically acceptable salt thereof; pharmaceutical compositions comprising an effective amount of a compound of Formula (I) in combination with a suitable carrier, diluent, or excipient; and methods for treating physiological disorders, particularly frailty, osteoporosis, osteopenia, and male and female sexual dysfunction comprising administering to a patient in need thereof an effective amount of a compound of formula (I).

  本发明提供了以下公式的化合物：公式（I）或其药学上可接受的盐；包含有效量公式（I）化合物与适当载体、稀释剂或赋形剂的制剂；以及治疗生理障碍，特别是虚弱，骨质疏松，骨质疏松症和男女性功能障碍的方法，包括向需要的患者给予公式（I）化合物的有效量。
• TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20150051171A1

  公开（公告）日：2015-02-19

  The present invention provides a compound having an excellent efficacy for controlling pests. A tetrazolinone compound of a formula (1): [wherein R1 represents an C6-C16 aryl group, an C1-C12 alkyl group, or a C3-C12 cycloalkyl group, etc., which each optionally be substituted; R2, R3, R4 and R5 represent independently of each other a hydrogen atom, a halogen atom or an C1-C3 alkyl group, etc.; R6 represents an C1-C6 alkyl group, a C3-C6 cycloalkyl group, a halogen atom, a C1-C6 haloalkyl group, an C2-C6 alkenyl group, an C1-C6 alkoxy group, or a C1-C6 haloalkoxy group, etc.; R7, R8 and R9 represent independently of each other a hydrogen atom, a halogen atom, or an C1-C4 alkyl group, etc.; X represents an oxygen atom or a sulfur atom; and R10 represents an C1-C6 alkyl group, etc.] shows an excellent controlling efficacy on pests.

  本发明提供了一种具有优异的杀虫功效的化合物。公式（1）的四唑烷酮化合物：[其中，R1代表C6-C16芳基，C1-C12烷基或C3-C12环烷基等，每个都可以选择性地被取代；R2、R3、R4和R5分别独立地表示氢原子、卤素原子或C1-C3烷基等；R6表示C1-C6烷基，C3-C6环烷基，卤素原子，C1-C6卤代烷基，C2-C6烯基，C1-C6烷氧基或C1-C6卤代烷氧基等；R7、R8和R9独立地表示氢原子、卤素原子或C1-C4烷基等；X表示氧原子或硫原子；R10表示C1-C6烷基等]对害虫具有优异的控制功效。
• WO2007/2181
  申请人：——

  公开号：——

  公开（公告）日：——
• TETRAHYDROCARBAZOLE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS (SARM)
  申请人：ELI LILLY AND COMPANY

  公开号：EP1902026A2

  公开（公告）日：2008-03-26