4-(1,5-diphenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol | 2515-57-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 4-(1,5-diphenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol
• 英文别名: 4-(1,5-diphenyl-4,5-dihydro-1H-pyrazol-3-yl)-phenol；3-<4-Hydroxy-phenyl>-1,5-diphenyl-pyrazolin；4-(1,5-Diphenylpyrazolidin-3-ylidene)cyclohexa-2,5-dien-1-one；4-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)phenol
• CAS: 2515-57-3
• 化学式: C₂₁H₁₈N₂O
• 分子量: 314.387
• InChiKey: QFAHQNWUNXVQES-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  35.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-硝基邻苯二腈 、 4-(1,5-diphenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 96.0h， 以48%的产率得到3-(4-(1,5-diphenyl-4,5-dihydro-1H-pyrazol-3-yl)phenoxy)phthalonitrile
  参考文献：
  名称：

  新型的含4-（1,5-二苯基-4,5-二氢-1H-吡唑-3-基）的外围和非外围四取代的锌（II）和镁（II）酞菁的合成，表征和光化学性质苯酚单位

  摘要：

  摘要本研究的范围是基于4-（1,5-二苯基-4,5-二氢-1H-吡唑-3-基）苯酚（1）取代的新二氰基化合物（3a-3b）的合成及其外围和非外围四取代的ZnIIPcs（4a–4b）和MgIIPcs（5a–5b）。所有化合物的表征均通过使用常规光谱技术完成。之后，在二甲基亚砜（DMSO）溶液中检查了ZnIIPcs（4a–4b）和MgIIPcs（5a–5b）的光化学性质。这些酞菁配合物在许多有机溶剂如甲苯，丙酮，二氯甲烷，THF，氯仿，DMF和DMSO中表现出良好的溶解性。结果，在DMSO中研究了新型酞菁配合物中取代基的位置和各种中心金属离子（锌（II）或镁（II））对其光化学性质的影响。

  DOI：

  10.1016/j.poly.2019.05.063
• 作为产物：
  描述：

  4-羟基查耳酮 、 苯肼 在 溶剂黄146 作用下， 以 乙醇 、 水 为溶剂， 以40%的产率得到4-(1,5-diphenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol
  参考文献：
  名称：

  Ferrocenyl-contained dendritic-like antioxidants with dihydropyrazole and pyrazole as the core: investigations into the role of ferrocenyl group and structure–activity relationship on scavenging radical and protecting DNA

  摘要：

  Eight ferrocenyl and three corresponding phenyl dendritic-like antioxidants with dihydropyrazole or pyrazole as the core were synthesized and their antioxidant abilities to scavenge 2,2'-azinobis(3-ethylbenzothiazoline-6-sulfonate) cationic radical (ABTS(+center dot)) and to protect DNA against 2,2'-azobis(2-amidinopropane hydrochloride) (AAPH)-induced oxidation were evaluated. It was found that the antioxidant abilities of almost all of the ferrocenyl dendritic-like antioxidants are greater than those of the corresponding phenyl dendritic-like antioxidants remarkably. Moreover, the structure-activity relationships of all these dendritic-like antioxidants were investigated in detail. The quantitative contributions of ferrocenyl group, hydroxyl group, and dihydro-structure in the heterocyclic core to the values of n, n(app) and n+n(app) in scavenging ABTS(+center dot) and the values of n in protecting DNA against AAPH-induced oxidation were also calculated. Crown Copyright (C) 2013 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.08.053

文献信息

• IDENTIFICATION OF PHENYLHYDRAZONES AND ISOMERIC PYRAZOLINES OBTAINED FROM CHALCONES
  作者：L. CHAS. RAIFORD、WALTER J. PETERSON

  DOI：10.1021/jo01235a003

  日期：1937.1
• ASAAD, F. M., EGYPT. J. CHEM., 1982, 25, N 3, 293-300
  作者：ASAAD, F. M.

  DOI：——

  日期：——
• US6156466A
  申请人：——

  公开号：US6156466A

  公开（公告）日：2000-12-05
• Ferrocenyl-contained dendritic-like antioxidants with dihydropyrazole and pyrazole as the core: investigations into the role of ferrocenyl group and structure–activity relationship on scavenging radical and protecting DNA
  作者：Pei-Ze Li、Zai-Qun Liu

  DOI：10.1016/j.tet.2013.08.053

  日期：2013.11

  Eight ferrocenyl and three corresponding phenyl dendritic-like antioxidants with dihydropyrazole or pyrazole as the core were synthesized and their antioxidant abilities to scavenge 2,2'-azinobis(3-ethylbenzothiazoline-6-sulfonate) cationic radical (ABTS(+center dot)) and to protect DNA against 2,2'-azobis(2-amidinopropane hydrochloride) (AAPH)-induced oxidation were evaluated. It was found that the antioxidant abilities of almost all of the ferrocenyl dendritic-like antioxidants are greater than those of the corresponding phenyl dendritic-like antioxidants remarkably. Moreover, the structure-activity relationships of all these dendritic-like antioxidants were investigated in detail. The quantitative contributions of ferrocenyl group, hydroxyl group, and dihydro-structure in the heterocyclic core to the values of n, n(app) and n+n(app) in scavenging ABTS(+center dot) and the values of n in protecting DNA against AAPH-induced oxidation were also calculated. Crown Copyright (C) 2013 Published by Elsevier Ltd. All rights reserved.
• Synthesis, characterization, and photochemical properties of novel peripherally and non-peripherally tetra substituted zinc(II) and magnesium(II) phthalocyanines containing 4-(1,5-diphenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol units
  作者：Halise Yalazan、Muzaffer Köç、Seda Fandaklı、Asiye Nas、Mahmut Durmuş、Halit Kantekin

  DOI：10.1016/j.poly.2019.05.063

  日期：2019.9

  were examined in dimethylsulfoxide (DMSO) solutions. These phthalocyanine complexes exhibited good solubility in many organic solvents such as toluene, acetone, dichloromethane, THF, chloroform, DMF and DMSO. As a result, the influence of the substituent location and diverse central metal ions (zinc(II) or magnesium(II)) in new phthalocyanine complexes on their photochemical properties were researched

  摘要本研究的范围是基于4-（1,5-二苯基-4,5-二氢-1H-吡唑-3-基）苯酚（1）取代的新二氰基化合物（3a-3b）的合成及其外围和非外围四取代的ZnIIPcs（4a–4b）和MgIIPcs（5a–5b）。所有化合物的表征均通过使用常规光谱技术完成。之后，在二甲基亚砜（DMSO）溶液中检查了ZnIIPcs（4a–4b）和MgIIPcs（5a–5b）的光化学性质。这些酞菁配合物在许多有机溶剂如甲苯，丙酮，二氯甲烷，THF，氯仿，DMF和DMSO中表现出良好的溶解性。结果，在DMSO中研究了新型酞菁配合物中取代基的位置和各种中心金属离子（锌（II）或镁（II））对其光化学性质的影响。