1-(4-Benzyloxy-phenyl)-4,4,4-trifluoro-butane-1,3-dione | 190020-14-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(4-Benzyloxy-phenyl)-4,4,4-trifluoro-butane-1,3-dione
• 英文别名: 1-(4-benzyloxyphenyl)-4.4,4-trifluoro-1,3-butanedione；1-[4-(Benzyloxy)phenyl]-4,4,4-trifluorobutane-1,3-dione；4,4,4-trifluoro-1-(4-phenylmethoxyphenyl)butane-1,3-dione
• CAS: 190020-14-5
• 化学式: C₁₇H₁₃F₃O₃
• 分子量: 322.284
• InChiKey: ICPXKFWSKKAXBH-UHFFFAOYSA-N

物化性质

• 沸点：
  420.8±40.0 °C(Predicted)
• 密度：
  1.277±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-(4-Benzyloxy-phenyl)-4,4,4-trifluoro-butane-1,3-dione 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 4.0h， 以67%的产率得到5-(4-(benzyloxy)phenyl)-3-(trifluoromethyl)-1H-pyrazole
  参考文献：
  名称：

  Synthesis and anti-microbial activity of some new fluorinated 1H-pyrazoles

  摘要：

  Several new trifluoromethyl-1H-pyrazoles were prepared by reaction of hydrazine monohydrate with 1,3-diketones. Their structures were confirmed by elemental analysis, IR, H-1 NMR and EI-MS spectroscopy. The anti-microbial activities of the newly synthesized compounds were examined by disc diffusion method against Escherichia coli, Staphylococcus aureus, Pyricularia oryzae and Rhizoctnia solani. All the trifluoromethyl-1H-pyrazoles exhibited a certain degree of anti-bacterial and anti-fungal activities. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2010.01.005
• 作为产物：
  描述：

  三氟乙酸乙酯 、 4-苯甲氧基苯乙酮 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 生成 1-(4-Benzyloxy-phenyl)-4,4,4-trifluoro-butane-1,3-dione
  参考文献：
  名称：

  三组分级联反应合成1，5-二酮

  摘要：

  已经开发了由容易获得的N，N-二环己基甲胺，1,3-二羰基化合物和三氟甲基β-二酮温和而有效地级联合成1,5-二酮的方法。该级联反应通过氧化/曼尼希反应/ Cope消除/迈克尔加成/复古克莱森反应序列发生，并在一锅中形成多个CC键。另外，在1，3-二羰基化合物与三氟甲基β-二酮之间的反应中实现了出色的化学选择性。

  DOI：

  10.1002/adsc.201500691

文献信息

• Catalytic and Asymmetric Process via P^III/P^V═O Redox Cycling: Access to (Trifluoromethyl)cyclobutenes via a Michael Addition/Wittig Olefination Reaction
  作者：Charlotte Lorton、Thomas Castanheiro、Arnaud Voituriez

  DOI：10.1021/jacs.9b02539

  日期：2019.7.3

  In the present study, we report the first enantioselective and highly efficient phosphine-catalyzed process via a chemoselective in situ phosphine oxide reduction. Starting with 4,4,4-trifluorobutane-1,3-dione and dialkyl acetylenedicarboxylate substrates, highly functionalized fluorinated cyclobutenes were obtained in excellent yields and enantioselectivities. Using the same methodology, CF3-spirocyclobutene

  在本研究中，我们报告了第一个通过化学选择性原位氧化膦还原对映选择性和高效膦催化的过程。从 4,4,4-三氟丁烷-1,3-二酮和乙炔二羧酸二烷基酯底物开始，以优异的产率和对映选择性获得了高度官能化的氟化环丁烯。使用相同的方法，还合成了 CF3-螺环丁烯衍生物（34 个实例，高达 95% ee）。
• Direct Conversion of Aromatic Ketones to Arenecarboxylic Esters via Carbon–Carbon Bond-Cleavage Reactions
  作者：Guodong Yin、Meng Gao、Zihua Wang、Yandong Wu、Anxin Wu

  DOI：10.1246/bcsj.81.369

  日期：2008.3.15

  Aromatic methyl ketones, β-keto esters, and trifluoromethyl-1,3-diketones can be directly converted to arenecarboxylic esters via carbon–carbon bond cleavage of pyridinium iodide intermediates in t...

  芳香族甲基酮、β-酮酯和三氟甲基-1,3-二酮可以通过碘化吡啶中间体的碳-碳键断裂直接转化为芳烃羧酸酯...
• Substituted isoxazolines, pharmaceutical compositions containing the same, methods of preparing the same, and uses of the same
  申请人：Bayer Schering Pharma Aktiengesellschaft

  公开号：EP1878730A1

  公开（公告）日：2008-01-16

  The invention relates to substituted isoxazolines according to the general formula (I) : in which A, R1, R2, R3, R4, Z, X, m, n, and p, are given in the claims, and salts thereof, to pharmaceutical compositions comprising said substituted isoxazolines, to methods of preparing said substituted isoxazolines as well as the use thereof for manufacturing a pharmaceutical composition for the treatment of diseases known to be at least in part mediated by HDAC activity or whose symptoms are known to be alleviated by HDAC inhibitors.

  该发明涉及通式（I）中的取代异噁唑啉，其中A、R1、R2、R3、R4、Z、X、m、n和p如索赔中所述，并其盐，包括所述取代异噁唑啉的制药组合物，制备所述取代异噁唑啉的方法以及用于制造治疗至少部分通过HDAC活性介导或其症状已知可通过HDAC抑制剂缓解的疾病的制药组合物的用途。
• Inhibitors of cyclin-dependent kinases, compositions and uses related thereto
  申请人：GPC Biotech, Inc.

  公开号：US20040266854A1

  公开（公告）日：2004-12-30

  The invention pertains to novel cyclin dependent kinase inhibitors (cdks) and specifically, but not exclusively, as inhibitors of cdk/cyclin complexes. As described herein, the inhibitors of this invention are capable of inhibiting the cell-cycle machinery and consequently may be useful in modulating cell-cycle progression, ultimately controlling cell growth and differentiation. Such compounds would be useful for treating subjects having disorders associated with excessive cell proliferation.

  这项发明涉及新型细胞周期依赖性激酶抑制剂（cdks），具体而言，但不仅限于作为cdk/cyclin复合物的抑制剂。如本文所述，本发明的抑制剂能够抑制细胞周期机制，因此可能有助于调节细胞周期进程，最终控制细胞生长和分化。这样的化合物对于治疗患有与过度细胞增殖相关的疾病的患者将会很有用。
• Method of detecting cyclooxygenase-2
  申请人：G.D. Searle & Co.

  公开号：US06045773A1

  公开（公告）日：2000-04-04

  The invention relates to a method of detecting concentrations of cyclooxygenase-2 in a mammal, the method comprising: administering to the mammal a diagnostically effective amount of a cyclooxygenase-2 selective agent, which is capable of being detected in vivo; and b) detecting the agent so the concentration of cyclooxygenase-2 is detected.

  本发明涉及一种检测哺乳动物中环氧合酶-2浓度的方法，该方法包括：向哺乳动物施用诊断有效量的环氧合酶-2选择性药剂，该药剂能够在体内被检测；并检测该药剂以检测环氧合酶-2的浓度。