(4-甲基苯基)4-氟苯甲酸酯 | 32792-48-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 中文名称: (4-甲基苯基)4-氟苯甲酸酯
• 英文名称: p-cresol 4-fluorobenzoate
• 英文别名: p-cresyl p-fluorobenzoate；p-tolyl 4-fluorobenzoate；4-fluorobenzoic acid p-tolyl ester；4-Tolyl-p-fluorbenzoat；(4-Methylphenyl) 4-fluorobenzoate
• CAS: 32792-48-6
• 化学式: C₁₄H₁₁FO₂
• 分子量: 230.239
• InChiKey: XWBAMEAPKBOZMK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  17
• 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：
  26.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (4-甲基苯基)4-氟苯甲酸酯 在 三氯化铝 作用下， 反应 0.33h， 生成 (4-Fluoro-phenyl)-(2-hydroxy-5-methyl-phenyl)-methanone
  参考文献：
  名称：

  Design and synthesis of 1-(4-benzoylphenyl)imidazole derivatives as new potent 20-HETE synthase inhibitors

  摘要：

  Structural modification of the novel 20-HETE synthase inhibitor 1 (IC50 310nM) is described. Introduction of a side chain with a carboxylic acid at the terminal position to 1 resulted in increased ability to inhibit human renal microsomal production of 20-HETE (7c: IC50 7.9 nM), with good selectivity toward CYP2D6 and cyclooxygenases (COX)-1 and -2. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.08.025
• 作为产物：
  描述：

  4-fluoro-N-methoxybenzamide 在 四丁基碘化铵 、 zinc trifluoromethanesulfonate 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.5h， 生成 (4-甲基苯基)4-氟苯甲酸酯
  参考文献：
  名称：

  轻度反应条件下N-烷氧基酰胺的电二聚反应，用于锌（II）催化的酚酯合成

  摘要：

  已经报道了从N-烷氧基酰胺合成酚酯的电化学开-关方法。这种一锅法的协议开始于使用n- Bu 4 NI（TBAI）作为电催化剂对酰胺进行快速和选择性的电二聚。在不存在电流的情况下，该反应会进一步通过酰胺催化的二聚体的Zn催化C-N键活化而进行，然后将其与苯酚偶联形成酯。本方法学不含配体，在温和的反应条件下进行。这种转变结合了多种酚和酰胺底物，导致形成功能化的酯，从而突出了其多功能性。

  DOI：

  10.1002/adsc.201701646

文献信息

• Preparation of 4-fluorophenol and 4-fluorobenzoic acid by the Baeyer-Villiger reaction
  作者：L. Conte、M. Napoli、G.P. Gambaretto、A. Guerrato、F.M. Carlini

  DOI：10.1016/0022-1139(93)02930-d

  日期：1994.4

  Baeyer-Villiger reaction starting from unsymmetrical fluoroaryl ketones is discussed. Several unsymmetrical 4-fluorobenzophenones having different substituents in the fluorine-free aryl group were prepared and converted to esters by treatment with peracetic acid. The electrophilicity of the substituents influenced the molecular structure of the ester formed as a result of a carbon-to-oxygen migration, and hence

  讨论了从不对称氟芳基酮开始通过Baeyer-Villiger反应制备4-氟苯酚或4-氟苯甲酸的可能性。制备了几种在无氟芳基中具有不同取代基的不对称4-氟二苯甲酮，并通过用过乙酸处理将其转化为酯。取代基的亲电子性影响由于碳-氧迁移而形成的酯的分子结构，因此影响了4-氟苯酚或4-氟苯甲酸的形成。吸电子取代基有利于高产率地形成4-氟苯酚，而供电子取代基优先形成4-氟苯甲酸。
• Compounds that abrogate DNA-damage-induced cell cycle G2 checkpoint and/or augment the anti-cancer activity of DNA damaging treatments
  申请人：——

  公开号：US20040198727A1

  公开（公告）日：2004-10-07

  The invention provides compositions and methods to inhibit the cell cycle G2 checkpoint, in particular the DNA-damage-induced G2 checkpoint, in mammalian cells including human cells. Specifically, the invention provides compositions and methods to sensitize cells to DNA-damaging agents by abrogating the cell cycle G2 checkpoint. Compounds of the invention are used to treat proliferative disorders such as cancer. The invention provides compositions and methods for selectively sensitizing G1 checkpoint impaired cancer cells to DNA-damaging agents and treatments.

  本发明提供了一种抑制哺乳动物细胞，包括人类细胞，特别是DNA损伤诱导的G2检查点的细胞周期G2检查点的组成物和方法。具体而言，本发明提供了一种通过废除细胞周期G2检查点来使细胞对DNA损伤剂敏感的组成物和方法。本发明的化合物用于治疗增生性疾病，如癌症。本发明提供了一种选择性地使G1检查点受损的癌细胞对DNA损伤剂和治疗敏感的组成物和方法。
• Compounds that abrogate DNA damage induced cell cycle G2 checkpoint and/or augment anti-cancer activity of DNA-damaging treatments
  申请人：Kawabe Takumi

  公开号：US20060122269A1

  公开（公告）日：2006-06-08

  The invention provides compositions and methods to inhibit the cell cycle G2 checkpoint, in particular the DNA-damage-induced G2 checkpoint, in mammalian cells including human cells. Specifically, the invention provides compositions and methods to sensitize cells to DNA-damaging agents by abrogating the cell cycle G2 checkpoint. Compounds of the invention are used to treat proliferative disorders such as cancer. The invention provides compositions and methods for selectively sensitizing G1 checkpoint impaired cancer cells to DNA-damaging agents and treatments.

  该发明提供了一种抑制哺乳动物细胞，包括人类细胞中的细胞周期G2检查点，特别是DNA损伤诱导的G2检查点的组合物和方法。具体而言，该发明提供了通过废除细胞周期G2检查点来使细胞对DNA损伤剂敏感的组合物和方法。该发明的化合物可用于治疗增殖性疾病，如癌症。该发明提供的组合物和方法可选择性地使G1检查点受损的癌细胞对DNA损伤剂和治疗方法敏感。
• COMPOUNDS THAT ABROGATE DNA DAMAGE INDUCED CELL CYCLE G2 CHECKPOINT AND/OR AUGMENT ANTI-CANCER ACTIVITY OF DNA-DAMAGING TREATMENTS
  申请人：KAWABE Takumi

  公开号：US20080227827A1

  公开（公告）日：2008-09-18

  The invention provides compositions and methods to inhibit the cell cycle G2 checkpoint, in particular the DNA-damage-induced G2 checkpoint, in mammalian cells including human cells. Specifically, the invention provides compositions and methods to sensitize cells to DNA-damaging agents by abrogating the cell cycle G2 checkpoint. Compounds of the invention are used to treat proliferative disorders such as cancer. The invention provides compositions and methods for selectively sensitizing G1 checkpoint impaired cancer cells to DNA-damaging agents and treatments.

  本发明提供了一种抑制细胞周期G2检查点，特别是DNA损伤诱导的G2检查点，在哺乳动物细胞，包括人类细胞中的组合物和方法。具体而言，本发明提供了一种通过废除细胞周期G2检查点使细胞对DNA损伤剂敏感的组合物和方法。本发明的化合物用于治疗增殖性疾病，如癌症。本发明提供了一种选择性地使G1检查点受损的癌细胞对DNA损伤剂和治疗方法敏感的组合物和方法。
• SURFACE TREATMENT METHOD USING DISC-LIKE COMPOUND, (LUBRICATING) COMPOSITION FOR SURFACE TREATMENT, AND SURFACE-TREATED ARTICLE
  申请人：FUJIFILM Corporation

  公开号：EP1867704A1

  公开（公告）日：2007-12-19

  A surface treatment method comprising coating at least a part of a surface of an object with a composition comprising at least one type of discotic compound, and applying a temperature variation to the composition is disclosed.

  本发明公开了一种表面处理方法，包括在物体表面的至少一部分涂上包含至少一种变色化合物的组合物，并对组合物施加温度变化。