3-(2-hydroxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole | 4702-96-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 3-(2-hydroxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole
• 英文别名: 3-<2-Hydroxy-phenyl>-5-phenyl-pyrazolin；2-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol
• CAS: 4702-96-9
• 化学式: C₁₅H₁₄N₂O
• 分子量: 238.289
• InChiKey: DEVPCIVVKIDHMZ-UHFFFAOYSA-N

物化性质

• 熔点：
  82-88 °C
• 沸点：
  409.8±55.0 °C(Predicted)
• 密度：
  1.22±0.1 g/cm3(Predicted)

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：
  0.13
• 拓扑面积：
  44.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(2-hydroxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole 在 manganese(IV) oxide 作用下， 以 氯仿 为溶剂， 反应 2.0h， 生成 2-(5-phenyl-1H-pyrazol-3-yl)phenol
  参考文献：
  名称：

  Agrawal, Kumkum, Journal of the Indian Chemical Society, 1987, vol. 64, # 7, p. 408 - 410

  摘要：

  DOI：
• 作为产物：
  描述：

  (2E)-1-(2-羟基苯基)-3-苯基-2-丙烯-1-酮 在 一水合肼 作用下， 以 乙醇 为溶剂， 生成 3-(2-hydroxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole
  参考文献：
  名称：

  Small molecules with structural similarities to siderophores as novel antimicrobials against Mycobacterium tuberculosis and Yersinia pestis

  摘要：

  Drugs inhibiting the iron scarcity-induced, siderophore-mediated iron-scavenging systems of Mycobacterium tuberculosis (Mtb) and Yersinia pestis (Yp) may provide new therapeutic lines of defense. Compounds with structural similarities to siderophores were synthesized and evaluated as antimicrobials against Mtb and Yp under iron-limiting conditions, which mimic the iron scarcity these pathogens encounter and must adapt to in the host, and under standard iron-rich conditions for comparison. New antimicrobials were identified, some of which warrant exploration as initial leads against potentially novel targets and small-molecule tools to assist in the elucidation of targets specific to iron-scarcity adapted Mtb and Yp. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.03.025

文献信息

• Synthesis, spectral and sol-gel behavior of mixed ligand complexes of titanium(IV) with oxygen, nitrogen and sulfur donor ligands
  作者：A. Srivastava、N. Srivastava、U. N. Tripathi

  DOI：10.4314/bcse.v35i1.5

  日期：——

  A new route to synthesize nano-sized Ti(IV) mixed ligand complexes have been investigated by the reaction of titanium(IV) chloride with ammonium salts of dithiophosphate and 3(2'-hydroxyphenyl)-5-(4-substituted phenyl) pyrazolines. The resultant complex is then treated with H2S gas to get sulfur bridged dimer of Ti(IV) complex, a precursor of TiS2. The morphology of the complexes was studied by employing XRD which shows that all the complexes are amorphous solid. Molecular weight measurements, elemental analysis in conjugation with spectroscopic (IR, 1H NMR, 13C NMR and 31P NMR) studies revealed the dimeric nature of the complexes in which pyrazoline and dithiophosphate are bidentate. Scanning electron microscopic image and XRD indicate that the particles are in the nano range (50 nm). Putting all the facts together, coordination number six is proposed for titanium with octahedral geometry.                     KEY WORDS: Titanium(IV), Dithiophosphate, Pyrazoline, Nano-sized, Sol-gel, Mixed ligand complexes   Bull. Chem. Soc. Ethiop. 2021, 35(1), 61-76. DOI: https://dx.doi.org/10.4314/bcse.v35i1.5

  通过氯化钛（IV）与二硫代磷酸铵盐和 3(2'-羟基苯基)-5-(4-取代苯基)吡唑反应，研究了合成纳米级钛（IV）混合配体络合物的新途径。然后用 H2S 气体处理生成的络合物，得到硫桥二聚体 Ti（IV）络合物，即 TiS2 的前体。利用 XRD 对络合物的形态进行了研究，结果表明所有络合物都是无定形固体。分子量测量、元素分析以及光谱（红外光谱、1H NMR、13C NMR 和 31P NMR）研究表明，这些配合物具有二聚性质，其中吡唑啉和二硫代磷酸盐是双齿的。扫描电子显微镜图像和 X 射线衍射（XRD）表明，颗粒的大小在纳米范围内（50 纳米）。综合所有事实，提出了具有八面体几何形状的钛的配位数为 6； ； 关键词：钛（IV）、二硫代磷酸、吡唑啉、纳米级、溶胶-凝胶、混合配体复合物 ； ； Bull.Chem.Soc.2021, 35(1), 61-76. ； DOI: https://dx.doi.org/10.4314/bcse.v35i1.5
• SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS
  申请人：NORTHWESTERN UNIVERSITY

  公开号：US20200392116A1

  公开（公告）日：2020-12-17

  Disclosed are substituted heterocycle compounds including substituted pyrazoles, substituted pyrimidines, and substitute triazoles. The substituted heterocycles disclosed herein are shown to be useful in inhibiting c-MYC and may be utilized as therapeutics for treating cancer and cell proliferative disorders.

  本文披露了包括取代吡唑、取代嘧啶和取代三唑在内的取代杂环化合物。本文披露的取代杂环化合物被证明在抑制c-MYC方面具有用途，并可用作治疗癌症和细胞增殖性疾病的治疗药物。
• [EN] SUBSTITUTED HETEROCYCLES AS C-MYC TARGETING AGENTS<br/>[FR] HÉTÉROCYCLES SUBSTITUÉS SERVANT D'AGENTS DE CIBLAGE DE C-MYC
  申请人：UNIV NORTHWESTERN

  公开号：WO2020046382A1

  公开（公告）日：2020-03-05

  Disclosed are substituted heterocycle compounds including substituted pyrazoles, substituted pyrimidines, and substitute triazoles. The substituted heterocycles disclosed herein are shown to be useful in inhibiting c-MYC and may be utilized as therapeutics for treating cancer and cell proliferative disorders.

  本文披露了包括取代吡唑、取代嘧啶和取代三唑在内的取代杂环化合物。本文披露的取代杂环化合物已被证明在抑制c-MYC方面具有用途，并可用作治疗癌症和细胞增殖性疾病的治疗药物。
• A study on enhancing the quantum yield and antimicrobial activity of Pr(<scp>iii</scp>) by varying the coordination environment
  作者：Iffat Ameen、Abhishek Kumar Tripathi、Raj Laxmi Mishra、Afshan Siddiqui、Umesh Nath Tripathi

  DOI：10.1039/c7ra13035j

  日期：——

  Praseodymium forms complexes easily with nitrogen and oxygen donor pyrazolines and also forms mixed ligand complexes with these pyrazolines and sulfur donor thio ligands such as dithiocarbamates and xanthates.

  镨很容易与氮和氧供体吡唑啉形成配合物，并且还与这些吡唑啉和硫供体硫配体（如二硫代氨基甲酸盐和二硫代二酮盐）形成混合配合物。
• Synthesis, Reactions, and Physicochemical Characterization of Mixed Ligand Complexes of Zinc(II) Containing Schiff Bases and Pyrazoline Ligands
  作者：Afshan Siddiqui、Shashank K. Dwivedi、Praveen Kumar Mishra、Shikha Vishwakarma、Umesh Nath Tripathi

  DOI：10.1080/15533174.2013.862690

  日期：2015.9.2

  series of mixed ligand complexes of Zn(II) of molecular formula Zn(C15H12N2OX)(C6H4OCHNY) where X= ‒H, ‒CH3, ‒OCH3, Cl, and Y=C7H7, C5H4N, C6H4NO2, (C15H12N2OX) = [3(2′hydroxyphenyl)-5-(4′-X-substituted phenyl) pyrazolines], and (C6H4OCHNY) = Schiff base have been synthesized. These complexes were prepared by reacting the solution of ZnCl2 in THF with sodium salts of Schiff base ligands. The resulting

  分子式为Zn（C 15 H 12 N 2 OX）（C 6 H 4 OCHNY）的Zn（II）的一系列混合配体配合物，其中X = H，CH 3，OCH 3， Cl和Y = C 7 H 7，C 5 H 4 N，C 6 H 4 NO 2，（C 15 H 12 N 2 OX）= [3（2'羟基苯基）-5-（4'-X-取代苯基）吡唑啉]，并且已经合成了（C 6 H 4 OCHNY）＝席夫碱。这些配合物是通过使ZnCl溶液反应而制备的2在THF中与席夫碱配体的钠盐混合。用各种吡唑啉配体的钠盐以1：1的摩尔比处理所得产物。合成的复合物已通过元素分析（C，H，N），Volhard方法，熔点，光谱（IR，UV-Visible，ESR，FAB-MS）和磁性研究进行了表征。还讨论了这些新合成衍生物的复合物的抗菌和抗真菌潜力。