3-(吡啶-3-基)-1-苯基-4,5-二氢吡唑-5-酮 | 21683-61-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 3-(吡啶-3-基)-1-苯基-4,5-二氢吡唑-5-酮
• 英文名称: 3-(pyridin-3-yl)-1-phenyl-4,5-dihydropyrazol-5-one
• 英文别名: 1-phenyl-3-(3'-pyridyl)-2-pyrazolin-5-one；1-phenyl-3-(3-pyridyl)-2-pyrazolin-5-one；1-phenyl-3-(pyridin-3-yl)-2-pyrazolin-5-one；2-phenyl-5-pyridin-3-yl-1,2-dihydro-pyrazol-3-one；3-(3-pyridyl)-1-phenyl-4, 5-dihydropyrazol-5-one；1-Phenyl-3-(3'-pyridyl)-5-pyrazolone；2-phenyl-5-(3-pyridinyl)-2,4-dihydro-3H-pyrazol-3-one；2-phenyl-5-pyridin-3-yl-4H-pyrazol-3-one
• CAS: 21683-61-4
• 化学式: C₁₄H₁₁N₃O
• 分子量: 237.261
• InChiKey: URELBAFVGJASQK-UHFFFAOYSA-N

物化性质

• 熔点：
  186 °C(Solv: ethanol (64-17-5))
• 沸点：
  391.9±34.0 °C(Predicted)
• 密度：
  1.24±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  45.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(吡啶-3-基)-1-苯基-4,5-二氢吡唑-5-酮 在 吡啶 formamide 作用下， 以 正丁醇 为溶剂， 反应 15.5h， 生成 1,5,7-Triphenyl-3-pyridin-3-yl-1H-8-oxa-1,2,9-triaza-cyclopenta[b]naphthalen-4-one
  参考文献：
  名称：

  Abdel-Megeed, Mohamed F.; Mashoud, Yousef, Acta Chimica Hungarica, 1988, vol. 125, # 3, p. 451 - 456

  摘要：

  DOI：
• 作为产物：
  描述：

  3-氧代-3-(3-吡啶基)丙酸乙酯 在 苯肼 作用下， 以 乙醇 为溶剂， 生成 3-(吡啶-3-基)-1-苯基-4,5-二氢吡唑-5-酮
  参考文献：
  名称：

  Lipid-peroxide formation inhibiting composition and novel compounds

  摘要：

  一种脂质过氧化物形成抑制剂，可用作预防性药物和/或治疗性药物，用于各种缺血性疾病和伴随疾病，如各种脑疾病、心脏疾病和外周循环疾病，以及具有此种抑制活性的新型吡唑酮衍生物及其药学上可接受的盐。

  公开号：

  US04906644A1

文献信息

• 4, 5-dihydropyrazole-5-thione derivatives and miticides comprising the
  申请人：Otsuka Kagaku Kabushiki Kaisha

  公开号：US05639776A1

  公开（公告）日：1997-06-17

  The object of the present invention is to provide a novel 4, 5-dihydropyrazole-5-thione derivative which exerts remarkably potent miticidal activity. The 4, 5-dihydropyrazole-5-thione derivative of the present invention is represented by the general formula ##STR1## wherein R.sup.1 represents a straight- or branched-chain alkyl group having 1 to 12 carbon atoms or the like; R.sup.2 and R.sup.3 represent a lower alkyl group or the like; X represents a halogen atom or the like, n is 0 or an integer of 1 to 3; and A represents .paren open-st.C.paren close-st. or .paren open-st.N.paren close-st..

  本发明的目的是提供一种新颖的4,5-二氢吡唑-5-硫酮衍生物，具有显著的杀螨活性。本发明的4,5-二氢吡唑-5-硫酮衍生物由下述一般式表示： 其中R.sup.1表示具有1至12个碳原子的直链或支链烷基基团或类似物；R.sup.2和R.sup.3表示较低的烷基基团或类似物；X表示卤素原子或类似物，n为0或1至3的整数；A表示 .paren open-st.C.paren close-st. 或 .paren open-st.N.paren close-st.。
• Lipid-peroxide formation inhibiting composition and novel compounds useful therefor
  申请人：MITSUBISHI KASEI CORPORATION

  公开号：EP0269030A2

  公开（公告）日：1988-06-01

  A lipid-peroxide formation inhibitor useful as a preventive medicine and/or therapeutic medicine against various ischemic diseases and accompanying diseases such as various brain diseases, heart diseases and peripheral circulatory diseases and novel pyrazolone derivatives having such inhibitory activity and their pharmaceutically acceptable salts.

  一种脂质过氧化物形成抑制剂，可作为各种缺血性疾病和伴随疾病（如各种脑部疾病、心脏疾病和外周循环系统疾病）的预防药物和/或治疗药物，以及具有这种抑制活性的新型吡唑酮衍生物及其药学上可接受的盐类。
• 4,5-DIHYDROPYRAZOLE-5-THIONE DERIVATIVES AND ACARICIDE CONTAINING THE SAME
  申请人：OTSUKA KAGAKU KABUSHIKI KAISHA

  公开号：EP0751130A1

  公开（公告）日：1997-01-02

  The object of the present invention is to provide a novel 4, 5-dihydropyrazole-5-thione derivative which exerts remarkably potent miticidal activity. The 4, 5-dihydropyrazole-5-thione derivative of the present invention is represented by the general formula wherein R1 represents a straight- or branched-chain alkyl group having 1 to 12 carbon atoms or the like; R2 and R3 represent a lower alkyl group or the like; X represents a halogen atom or the like, n is 0 or an integer of 1 to 3; and A represents (̵C or (̵N.

  本发明的目的是提供一种新型的 4，5-二氢吡唑-5-硫酮衍生物，它具有显著的杀丝虫活性。本发明的 4，5-二氢吡唑-5-硫酮衍生物由通式表示 其中 R1 代表具有 1 至 12 个碳原子的直链或支链烷基或类似物；R2 和 R3 代表低级烷基或类似物；X 代表卤素原子或类似物；n 为 0 或 1 至 3 的整数；以及 A 代表 (̵C 或 (̵N.
• Microwave-assisted synthesis of some new pyrazolopyridines and their antioxidant, antitumor and antimicrobial activities
  作者：Mohamed A. El-Borai、Hala F. Rizk、Doha M. Beltagy、Ibrahim Y. El-Deeb

  DOI：10.1016/j.ejmech.2013.04.043

  日期：2013.8

  The chemical behavior of 4-(dimethylaminomethylene)-1-phenyl-3-(pyridin-3-yl)-1H-pyrazol-5(4H)-one (enaminone) (2) toward some active methylene reagents has been reported to give pyrazolopyridine derivatives. All the reactions were carried out by conventional heating and microwave irradiation technique. The antioxidant activity of the prepared compounds was studied using 1,1-phenyl-2-picrylhydrazyl (DPPH) assay. Compounds (4c) and (4d) showed the highest activity. The antitumor activity against liver and breast cell lines was tested. Compounds (6), (9) and (11) showed the highest activity for liver cell line while compounds (6) and (9) showed the highest activity for breast cell line. Compounds (4a-d) were screened for their antibacterial activity against Gram-positive, Gram-negative bacteria and antifungal activity. (C) 2013 Elsevier Masson SAS. All rights reserved.
• Abdel-Megeed, Mohamed F., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1987, vol. 26, # 1-12, p. 827 - 831
  作者：Abdel-Megeed, Mohamed F.

  DOI：——

  日期：——

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