4,5-二(苯基)-1,2-二氢吡唑-3-酮 | 33238-93-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 4,5-二(苯基)-1,2-二氢吡唑-3-酮
• 英文名称: 3,4-Diphenyl-2-pyrazolin-5-on
• 英文别名: JZ-1-78；4,5-Diphenyl-1,2-dihydropyrazol-3-one
• CAS: 33238-93-6
• 化学式: C₁₅H₁₂N₂O
• 分子量: 236.273
• InChiKey: UTKVJSBMGFLGBK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2933199090

反应信息

• 作为反应物：
  描述：

  N,N-二甲基乙醇胺 、 4,5-二(苯基)-1,2-二氢吡唑-3-酮 在 偶氮二甲酸二异丙酯 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 反应 20.0h， 以97%的产率得到
  参考文献：
  名称：

  Synthesis and biological activity of N,N-dialkylaminoalkyl-substituted bisindolyl and diphenyl pyrazolone derivatives

  摘要：

  New Compounds, structurally related to the potent protein kinase C inhibitor staurosporine, with a bisindolylpyrazolone framework and Substituted oil the pyrazolone nitrogens with N,N-dialkylarninoalkyl side chain, were synthesized and evaluated for growth-inhibitory properties in several human cell lines. Many showed inhibition of TNF-alpha production in response to the tumor promoter TPA on HL-60 cells. The apoptotic activity on HcLa cells has been examined for several of these compounds. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.09.059
• 作为产物：
  描述：

  ethyl 2,3-diphenyl-3-oxopropanoate 在 1,2,2-三甲基环戊烷-1,3-二羧酸 、 一水合肼 作用下， 以 乙醇 为溶剂， 反应 26.0h， 生成 4,5-二(苯基)-1,2-二氢吡唑-3-酮
  参考文献：
  名称：

  Synthesis and biological activity of N,N-dialkylaminoalkyl-substituted bisindolyl and diphenyl pyrazolone derivatives

  摘要：

  New Compounds, structurally related to the potent protein kinase C inhibitor staurosporine, with a bisindolylpyrazolone framework and Substituted oil the pyrazolone nitrogens with N,N-dialkylarninoalkyl side chain, were synthesized and evaluated for growth-inhibitory properties in several human cell lines. Many showed inhibition of TNF-alpha production in response to the tumor promoter TPA on HL-60 cells. The apoptotic activity on HcLa cells has been examined for several of these compounds. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.09.059

文献信息

• A simple approach to pyrazol-3-ones via diazenes
  作者：Bojan Burja、Marijan Kočevar、Slovenko Polanc

  DOI：10.1016/j.tet.2009.08.047

  日期：2009.10

  An efficient entry into pyrazol-3-ones is described starting from propenoic acids that were first transformed into the corresponding hydrazides. Oxidation of the hydrazides gave the diazenes and the latter cyclized to pyrazol-3-ones on treatment with ZrCl4. The methoxycarbonyl protection of the N-1 of the pyrazolone derivatives was easily removed under mild reaction conditions.

  描述了从首先被转化成相应的酰肼的丙烯酸开始有效地进入吡唑-3-酮。酰肼的氧化产生了二氮烯，并且在用ZrCl 4处理时将其环化成吡唑-3-酮。在温和的反应条件下，容易除去吡唑啉酮衍生物的N-1的甲氧基羰基保护基。
• [3 + 2]-Cycloadditions of Azomethine Imines and Ynolates
  作者：Sarah E. Winterton、Joseph M. Ready

  DOI：10.1021/acs.orglett.6b01104

  日期：2016.6.3

  A novel [3 + 2]-cycloaddition between azomethine imines and lithium ynolates is described to synthesize bicyclic pyrazolidinones. These bicyclic pyrazolidinones are versatile intermediates to form β-amino acids and monocyclic pyrazolidinones. High diastereoselectivity and stereospecificity allow access to optically active products.

  偶氮次甲基亚胺和ynolates锂之间的新型[3 + 2]环加成被描述为合成双环吡唑烷酮。这些双环吡唑烷酮是形成β-氨基酸和单环吡唑烷酮的通用中间体。高非对映选择性和立体特异性允许获得旋光产物。
• Pyrazole antimicrobial agents
  申请人：——

  公开号：US20020049205A1

  公开（公告）日：2002-04-25

  The present invention provides pyrazole and pyrazolone derivatives. Preferred compounds of the invention are useful as RNA polymerase inhibitors. Further preferred compounds of the invention are useful as antimicrobial agents.

  本发明提供了吡唑和吡唑酮衍生物。本发明的优选化合物可用作RNA聚合酶抑制剂。本发明的进一步优选化合物可用作抗微生物药剂。
• 4-Arylation of 3-alkoxypyrazoles
  作者：Sandrine Guillou、Olivier Nesmes、Mikhail S. Ermolenko、Yves L. Janin

  DOI：10.1016/j.tet.2009.01.109

  日期：2009.4

  Following the study of the alkoxypyrazoles nitrogen's reactivity toward arylation or alkylation reactions, we report here our results on the introduction of various aryl groups on carbon 4 position of 3-alkoxypyrazoles. This was achieved from the corresponding 4-halogeno derivatives via a Suzuki–Miyaura aryl–aryl coupling reaction. The unexpected difficulties (lack of reactivity or unwanted halogen

  在研究了烷氧基吡唑氮对芳基化或烷基化反应的反应性之后，我们在这里报告了在3-烷氧基吡唑的碳4位上引入各种芳基的结果。这是通过Suzuki-Miyaura芳基-芳基偶联反应从相应的4-卤代衍生物获得的。不含NH的4-卤代吡唑的C-4芳基化过程中遇到的出乎意料的困难（缺乏反应性或不希望的卤素还原）导致我们设计了该重复性问题的解决方案。还使用在乙酸中的溴化氢或在二氯甲烷中的三溴化硼研究了3-烷氧基的裂解。在一种情况下，这导致观察到显着的邻近基团辅助的亲电芳基硼酸酯化。
• Alkoxypyrazoles and the process for their preparation
  申请人：Institut Pasteur

  公开号：EP2151433A1

  公开（公告）日：2010-02-10

  The present invention relates to a alkoxypyrazoles preparation process, and new alkoxypyrazole compounds.

  本发明涉及一种烷氧基吡唑的制备方法，以及新的烷氧基吡唑化合物。