3-(2-fluorophenyl)-2-methylacrylic acid | 1131-71-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 3-(2-fluorophenyl)-2-methylacrylic acid
• 英文别名: E-3-(2-Fluorophenyl)-2-methylacrylic acid；3-(2-Fluor-phenyl)-2-methyl-prop-2t-ensaeure；2-Methyl-3-(2-fluorophenyl)acrylic acid；(E)-3-(2-fluorophenyl)-2-methylprop-2-enoic acid
• CAS: 1131-71-1
• 化学式: C₁₀H₉FO₂
• 分子量: 180.179
• InChiKey: IDOOGQLFSMTOCE-VOTSOKGWSA-N

物化性质

• 沸点：
  287.2±15.0 °C(Predicted)
• 密度：
  1.237±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(2-fluorophenyl)-2-methylacrylic acid 在 碳酸氢钠 作用下， 以 甲醇 、 水 为溶剂， 反应 2.0h， 生成 3-(2-fluorophenyl)-2-methylacrylic acid Na-salt
  参考文献：
  名称：

  Catalytic, biological and DNA binding studies of organotin(IV) carboxylates of 3-(2-fluorophenyl)-2-methylacrylic acid: Synthesis, spectroscopic characterization and X-ray structure analysis

  摘要：

  A new series of organotin(IV) carboxylates [Me2SnL2] (1), [Bu2SnL2] (2), [Oct(2)SnL(2)] (3), [Me3SnL] (4), [Bu3SnL] (5) and [Ph3SnL] (6), where L = 3-(2-fluorophenyl)-2-methylacrylate have been synthesized and characterized by FT-IR, CHNS and NMR (H-1, C-13). The crystal structures of complexes (1) and (4) were also analyzed by single crystal X-ray analysis. The complex (1) adopted distorted octahedral geometry while complex (4) exhibited distorted trigonal bipyramidal geometry. The catalytic activity of the complexes was assessed in the production of biodiesel. Biodiesel is the monoalkyl ester of long chain fatty acids derived from the renewable feed stock, such as vegetable oil and is produced by a transesterification of vegetable oil with methanol. The results revealed that triorganotin(IV) complexes showed better catalytic activity than their diorganotin(IV) analogues. The complexes were also screened for their biological activities such as antibacterial, antifungal and cytotoxicity. The complexes 4-6 showed significant activity than the complexes 1-3. DNA interactions studies of ligand and complexes were investigated by UV-Vis absorption spectroscopy. The results showed that both ligand and complexes interact with DNA via intercalation as well as minor groove binding. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2013.04.026
• 作为产物：
  描述：

  2-氟苯甲醛 生成 3-(2-fluorophenyl)-2-methylacrylic acid
  参考文献：
  名称：

  Fluorophenyl-substituted alkenylcarboxylic acid guanidides, process for their preparation, their use as a medicament or diagnostic, and medicament containing them

  摘要：

  本发明涉及氟苯基取代的烯丙基羧酸胍，其制备方法，它们作为药物或诊断工具的用途以及含有它们的药物。本发明的一种实施方式涵盖了公式I的化合物及其药物耐受性盐。所披露的化合物是细胞钠/质子交换器（Na+/H+exchanger）的有价值的抑制剂。因此，它们非常适用于治疗所有由于增加的Na+/H+交换引起的疾病。

  公开号：

  US20010020042A1

文献信息

• [EN] PHENYLALKYL SULFAMATE COMPOUND AND MUSCLE RELAXANT COMPOSITION COMPRISING THE SAME<br/>[FR] COMPOSÉ DE SULFAMATE DE PHÉNYLALKYLE ET COMPOSITION MYORELAXANTE LE CONTENANT
  申请人：BIO PHARM SOLUTIONS CO LTD

  公开号：WO2013187727A1

  公开（公告）日：2013-12-19

  The present invention relates to novel phenylalkyl sulfamate compounds, a method for preventing or treating a disease associated with muscle spasm. The present invention ensures the enhancement of muscle relaxation activity essential for alleviation of muscle spasm, such that it is promising for preventing or treating various diseases associated with muscle spasm.

  本发明涉及新型苯基烷基磺酰胺化合物，一种用于预防或治疗与肌肉痉挛相关疾病的方法。本发明确保增强肌肉松弛活性，这对于缓解肌肉痉挛至关重要，因此有望预防或治疗与肌肉痉挛相关的各种疾病。
• TRPA1 Antagonists
  申请人：Perner Richard J.

  公开号：US20090176883A1

  公开（公告）日：2009-07-09

  Compounds of formula (I) wherein R 1 , R 2 , R 3 , m, and Y are defined in the specification are TRPA1 antagonists. Compositions comprising such compounds and methods for treating conditions and disorders using such compounds and compositions are also disclosed.

  式(I)中的化合物，其中R1、R2、R3、m和Y如规范中所定义，是TRPA1拮抗剂。包含这些化合物的组合物以及使用这些化合物和组合物治疗疾病和疾病的方法也被披露。
• Cinnamic Acid Amide Derivative
  申请人：NIPPON ZOKI PHARMACEUTICAL CO., LTD.

  公开号：US20150322024A1

  公开（公告）日：2015-11-12

  The present invention provides a cinnamic acid amide derivative having an excellent analgesic action. The cinnamic acid amide derivative of the present invention is a compound showing excellent analgesic actions to not only a nociceptive pain model animal but also a neuropathic pain model animal, which is very useful as an agent for treating various pain diseases showing acute or chronic pains or neuropathic pains.

  本发明提供一种具有出色镇痛作用的肉桂酸酰胺衍生物。本发明的肉桂酸酰胺衍生物是一种化合物，不仅对伤害性疼痛模型动物，而且对神经病理性疼痛模型动物显示出出色的镇痛作用，非常适用于治疗各种急性或慢性疼痛或神经病理性疼痛的药剂。
• PHENYLALKYL SULFAMATE COMPOUND AND MUSCLE RELAXANT COMPOSITION COMPRISING THE SAME
  申请人：BIO-PHARM SOLUTIONS CO., LTD.

  公开号：US20150266848A1

  公开（公告）日：2015-09-24

  The present invention relates to novel phenylalkyl sulfamate compounds, a method for preventing or treating a disease associated with muscle spasm. The present invention ensures the enhancement of muscle relaxation activity essential for alleviation of muscle spasm, such that it is promising for preventing or treating various diseases associated with muscle spasm.

  本发明涉及一种新型的苯基烷基磺酰胺化合物，以及一种预防或治疗与肌肉痉挛有关的疾病的方法。本发明确保增强肌肉松弛活性，这对于缓解肌肉痉挛至关重要，因此本发明有望预防或治疗与肌肉痉挛有关的各种疾病。
• CINNAMIC ACID AMIDE DERIVATIVE
  申请人：Nippon Zoki Pharmaceutical Co., Ltd.

  公开号：EP2940003A1

  公开（公告）日：2015-11-04

  The present invention provides a cinnamic acid amide derivative having an excellent analgesic action. The cinnamic acid amide derivative of the present invention is a compound showing excellent analgesic actions to not only a nociceptive pain model animal but also a neuropathic pain model animal, which is very useful as an agent for treating various pain diseases showing acute or chronic pains or neuropathic pains.

  本发明提供了一种具有优异镇痛作用的肉桂酸酰胺衍生物。本发明的肉桂酸酰胺衍生物是一种化合物，不仅对痛觉痛模型动物，而且对神经病理性痛模型动物都有很好的镇痛作用，作为治疗各种表现为急性或慢性疼痛或神经病理性疼痛的疼痛疾病的药物非常有用。