4'-Methyl-3-trifluormethyl-benzophenon | 842-55-7

• 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'-Methyl-3-trifluormethyl-benzophenon
• 英文别名: (4-Methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
• CAS: 842-55-7
• 化学式: C₁₅H₁₁F₃O
• mdl: MFCD12541752
• 分子量: 264.247
• InChiKey: TZEIHDAOHGSUQA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.133
• 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'-Methyl-3-trifluormethyl-benzophenon 在 chromium(VI) oxide 作用下， 以 溶剂黄146 为溶剂， 生成 3'-Trifluormethyl-benzophenon-carbonsaeure-(4)
  参考文献：
  名称：

  Lichtenberger,J.; Weiss,F., Bulletin de la Societe Chimique de France, 1962, p. 587 - 593

  摘要：

  DOI：
• 作为产物：
  描述：

  3-三氟甲基苯甲酸 在 三氯化铝 、 氯化亚砜 作用下， 反应 2.0h， 生成 4'-Methyl-3-trifluormethyl-benzophenon
  参考文献：
  名称：

  Lichtenberger,J.; Weiss,F., Bulletin de la Societe Chimique de France, 1962, p. 587 - 593

  摘要：

  DOI：

文献信息

• Suzuki–Miyaura cross-coupling of esters by selective O–C(O) cleavage mediated by air- and moisture-stable [Pd(NHC)(μ-Cl)Cl]₂ precatalysts: catalyst evaluation and mechanism
  作者：Shiyi Yang、Tongliang Zhou、Albert Poater、Luigi Cavallo、Steven P. Nolan、Michal Szostak

  DOI：10.1039/d1cy00312g

  日期：——

  The cross-coupling of aryl esters has emerged as a powerful platform for the functionalization of otherwise inert acyl C–O bonds in chemical synthesis and catalysis. Herein, we report a combined experimental and computational study on the acyl Suzuki–Miyaura cross-coupling of aryl esters mediated by well-defined, air- and moisture-stable Pd(II)–NHC precatalysts [Pd(NHC)(μ-Cl)Cl]2. We present a comprehensive

  芳基酯的交叉偶联已成为化学合成和催化中惰性酰基 C-O 键功能化的强大平台。在此，我们报告了由明确的、空气和湿气稳定的 Pd( II )–NHC 预催化剂 [Pd(NHC)(μ-Cl) 介导的芳基酯的酰基 Suzuki-Miyaura 交叉偶联的综合实验和计算研究)Cl] 2 。我们对 [Pd(NHC)(μ-Cl)Cl] 2预催化剂进行了全面评估，并将其与目前最先进的带有烯丙基型废弃配体的 [(Pd(NHC)烯丙基] 预催化剂进行了比较最重要的是，该研究表明 [Pd(NHC)(μ-Cl)Cl] 2是迄今为止在该反应性流形中发现的最具反应性的预催化剂，这种非常规 O-C(O) 交叉偶联的独特合成用途是。在药物的后期功能化和顺序化学选择性交叉偶联中得到了重点关注，通过涉及 Pd 插入芳基酯键的催化机制提供了获得有价值的酮产品的机会。此外，我们还通过 DFT 方法对催化循环进行了全面的研究。考虑到
• Palladium-Catalyzed α-Arylation of Aryl Nitromethanes
  作者：Kelsey F. VanGelder、Marisa C. Kozlowski

  DOI：10.1021/acs.orglett.5b02793

  日期：2015.12.4

  Catalytic conditions for the alpha-arylation of aryl nitromethanes have been discovered using parallel microscale experimentation, despite two prior reports of the lack of reactivity of these aryl nitromethane precursors. The method efficiently provides a variety of substituted, isolable diaryl nitromethanes. In addition, it is possible to sequentially append two different aryl groups to nitromethane. Mild oxidation conditions were identified to afford the corresponding benzophenones via the Nef reaction, and reduction conditions were optimized to afford several diaryl methylamines.
• Discovery of trypanocidal thiosemicarbazone inhibitors of rhodesain and TbcatB
  作者：Jeremy P. Mallari、Anang Shelat、Aaron Kosinski、Conor R. Caffrey、Michele Connelly、Fangyi Zhu、James H. McKerrow、R. Kiplin Guy

  DOI：10.1016/j.bmcl.2008.03.083

  日期：2008.5

  Human African trypanosomiasis ( HAT) is caused by the protozoan parasite Trypanosoma brucei. The cysteine proteases of T. brucei have been shown to be crucial for parasite replication and represent an attractive point for therapeutic intervention. Herein we describe the synthesis of a series of thiosemicarbazones and their activity against the trypanosomal cathepsins TbcatB and rhodesain, as well as human cathepsins L and B. The activity of these compounds was determined against cultured T. brucei, and specificity was assessed with a panel of four mammalian cell lines. (c) 2008 Elsevier Ltd. All rights reserved.
• Buu-Hoi,N.P. et al., Recueil des Travaux Chimiques des Pays-Bas, 1966, vol. 85, p. 367 - 372
  作者：Buu-Hoi,N.P. et al.

  DOI：——

  日期：——
• Lichtenberger,J.; Weiss,F., Bulletin de la Societe Chimique de France, 1962, p. 587 - 593
  作者：Lichtenberger,J.、Weiss,F.

  DOI：——

  日期：——