5-(4-phenylphenyl)-1H-pyrazole-4-carbaldehyde | 1018677-48-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-(4-phenylphenyl)-1H-pyrazole-4-carbaldehyde
• CAS: 1018677-48-9
• 化学式: C₁₆H₁₂N₂O
• mdl: MFCD05181562
• 分子量: 248.284
• InChiKey: ONUJUTXNJGRXMV-UHFFFAOYSA-N

物化性质

• 熔点：
  165-167 °C(Solvent: Ethanol)
• 沸点：
  535.6±38.0 °C(predicted)
• 密度：
  1.221±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  45.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-(4-phenylphenyl)-1H-pyrazole-4-carbaldehyde 、 联苯甲酰 在 ammonium acetate 、 溶剂黄146 作用下， 以75%的产率得到3-(biphenyl-4-yl)-4-(4,5-diphenyl-1H-imidazol-2-yl)-1H-pyrazole
  参考文献：
  名称：

  Synthesis, characterization and antimicrobial studies of some new pyrazole incorporated imidazole derivatives

  摘要：

  In the present study two series of novel imidazole derivatives containing substituted pyrazole moiety (3a-d and 5a-j) were synthesized. The first series were synthesized by the reaction of 3-aryl-1H-pyrazole-4-carbaldehyde thiosemicarbazones (2a-d) with DMAD and the second series by the reaction of 3-aryl-1H-pyrazole-4-carbaldehydes (la-e) with 1,2-diketones (4a,b) in the presence of ammonium acetate. Structures of newly synthesized compounds were characterized by spectral studies. New compounds were screened for antifungal and antibacterial activities. Among the synthesized compounds, compound 3c was found to be potent antimicrobial agent. The acute oral toxicity study for the compound 3c was carried out and the experimental studies revealed that compound 3c is safe up to 3000 mg/kg and no death of animals were recorded. (C) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.05.005
• 作为产物：
  描述：

  联苯单乙酮 在 sodium acetate 、 三氯氧磷 作用下， 以 乙醇 为溶剂， 反应 14.5h， 生成 5-(4-phenylphenyl)-1H-pyrazole-4-carbaldehyde
  参考文献：
  名称：

  Hantzsch反应：一些新型的1,4-二氢吡啶衍生物作为强效抗微生物剂和抗氧化剂的合成与表征

  摘要：

  在本研究中，通过3-芳基-1 H-吡唑-的反应合成了两个新的含取代吡唑部分（4a - f和5a - f）的Hantzsch 1,4-二氢吡啶衍生物（1,4-DHPs）。4-甲醛与1,3-二羰基化合物（乙酰乙酸乙酯和乙酰乙酸甲酯）和乙酸铵。通过IR，NMR，质谱研究以及C，H，N分析对新合成的化合物进行了表征。通过孔板法（抑制区）筛选新化合物的抗菌活性。还通过测量DPPH自由基清除测定法对合成的化合物进行了抗氧化研究。化合物4c，4e发现4f和4f是有效的抗菌剂和抗氧化剂。进行了化合物4c，4e和4f的急性口服毒性研究，实验研究表明，化合物4c和4e高达3000 mg / kg是安全的，没有动物死亡。但是，在化合物4f中，我们发现死亡率超过2000 mg，并且在实验动物中也表现出明显的行为变化。

  DOI：

  10.1016/j.ejmech.2011.09.026

文献信息

• New pyrazole derivatives containing 1,2,4-triazoles and benzoxazoles as potent antimicrobial and analgesic agents
  作者：A.M. Vijesh、Arun M. Isloor、Prashanth Shetty、S. Sundershan、Hoong Kun Fun

  DOI：10.1016/j.ejmech.2012.12.057

  日期：2013.4

  their excellent therapeutic properties. Present paper describes about the synthesis of three series of new 1,2,4-triazole and benzoxazole derivatives containing substituted pyrazole moiety (11a–d, 12a–d and 13a–d). The newly synthesized compounds were characterized by spectral studies and also by C, H, N analyses. All the synthesized compounds were screened for their analgesic activity by the tail flick

  唑类化合物以其优异的治疗性能而闻名。本论文描述了含有取代的吡唑部分（11a-d，12a-d和13a-d）的三个系列的新的1,2,4-三唑和苯并恶唑衍生物的合成。通过光谱研究以及C，H，N分析对新合成的化合物进行了表征。通过甩尾法筛选所有合成的化合物的镇痛活性。新衍生物的抗菌活性也通过最小稀释浓度（MIC）通过系列稀释法进行。结果表明，化合物11c 在吡唑部分上具有2，5-二氯噻吩取代基和三唑环的化合物具有显着的止痛和抗菌活性。
• Synthesis and anticancer activity of some novel diethyl {(chromonyl/pyrazolyl) [(4-oxo-2-phenyl-quinazolin-3(4<i>H</i>)-yl)amino]methyl}phosphonates
  作者：Mohammed A. Assiri、Tarik E. Ali、Mamdouh M. Ali、I. S. Yahia

  DOI：10.1080/10426507.2018.1487969

  日期：2018.10.3

  Abstract The synthesis of some novel chromonyl and pyrazolyl α-aminophosphonates containing a quinazolinone ring was carried out by applying Pudovik and Kabachnik-Fields reactions under solvent- and catalyst-free conditions. The anticancer activities of these compounds were evaluated against five cancer cell lines. 3-[(3-Phenyl/1,3-diphenyl-1H-pyrazol-4-yl)methylidene]amino}-2-phenyl-quinazolin-4(3H)-ones

  摘要 在无溶剂和无催化剂条件下，通过应用 Pudovik 和 Kabachnik-Fields 反应合成了一些含有喹唑啉酮环的新型色酮基和吡唑基 α-氨基膦酸酯。针对五种癌细胞系评估了这些化合物的抗癌活性。3-[(3-Phenyl/1,3-diphenyl-1H-pyrazol-4-yl)methylidene]amino}-2-phenyl-quinazolin-4(3H)-ones (3d,e) 和二乙基 [3 -苯基/1,3-二苯基-1H-吡唑-4-基][(4-oxo-2-phenyl-quinazolin-3(4H) yl)amino]methyl}phosphonates (4d,e) 显示出有效的抗癌活性与标准药物相比，针对 HCT116、MCF-7 和 HepG2 细胞系。图形概要
• Synthesis, characterization and anti-microbial studies of some novel 2,4-disubstituted thiazoles
  作者：A.M. Vijesh、Arun M. Isloor、Vivek Prabhu、Shaoib Ahmad、Shridhar Malladi

  DOI：10.1016/j.ejmech.2010.07.048

  日期：2010.11

  In the present study a series of novel 2,4-disubstituted thiazole derivatives containing substituted pyrazole moiety was synthesized by the reaction of 3-Aryl-1H-pyrazole-4-carbaldehyde thiosemicarbazone with 6-Bromo/H-3-(bromoacetyl)-2H-chromen-2-one/phenacyl chloride. Structures of newly synthesized compounds were characterized by spectral studies. New compounds were screened for their antibacterial

  在本研究中，通过3-芳基-1 H-吡唑-4-甲醛醛缩氨基硫脲与6-溴/ H-3-（溴乙酰基）的反应合成了一系列含有取代吡唑部分的新型2,4-二取代噻唑衍生物。-2 H-色-2--2-酮/苯甲酰氯。通过光谱研究表征了新合成的化合物的结构。筛选了新化合物对金黄色葡萄球菌，枯草芽孢杆菌，大肠杆菌和铜绿假单胞菌的抗菌研究。结果表明，化合物7C中，8E，和8F具有2,5-二氯噻吩取代基和具有2，4-二氯苯基取代基的图8c，8d显示了对所有测试微生物的显着的抗菌活性。
• Hantzsch reaction: Synthesis and characterization of some new 1,4-dihydropyridine derivatives as potent antimicrobial and antioxidant agents
  作者：A.M. Vijesh、Arun M. Isloor、S.K. Peethambar、K.N. Shivananda、T. Arulmoli、Nishitha A. Isloor

  DOI：10.1016/j.ejmech.2011.09.026

  日期：2011.11

  the present study two new series of Hantzsch 1,4-dihydropyridine derivatives (1,4-DHPs) containing substituted pyrazole moiety (4a–f and 5a–f) were synthesized by the reaction of 3-aryl-1H-pyrazole-4-carbaldehydes with 1,3-dicarbonylcompounds (ethylacetoacetate and methylacetoacetate) and ammonium acetate. The newly synthesized compounds were characterized by IR, NMR, mass spectral study and also by

  在本研究中，通过3-芳基-1 H-吡唑-的反应合成了两个新的含取代吡唑部分（4a - f和5a - f）的Hantzsch 1,4-二氢吡啶衍生物（1,4-DHPs）。4-甲醛与1,3-二羰基化合物（乙酰乙酸乙酯和乙酰乙酸甲酯）和乙酸铵。通过IR，NMR，质谱研究以及C，H，N分析对新合成的化合物进行了表征。通过孔板法（抑制区）筛选新化合物的抗菌活性。还通过测量DPPH自由基清除测定法对合成的化合物进行了抗氧化研究。化合物4c，4e发现4f和4f是有效的抗菌剂和抗氧化剂。进行了化合物4c，4e和4f的急性口服毒性研究，实验研究表明，化合物4c和4e高达3000 mg / kg是安全的，没有动物死亡。但是，在化合物4f中，我们发现死亡率超过2000 mg，并且在实验动物中也表现出明显的行为变化。
• Structure–activity relationship study of a novel necroptosis inhibitor, necrostatin-7
  作者：Weihong Zheng、Alexei Degterev、Emily Hsu、Junying Yuan、Chengye Yuan

  DOI：10.1016/j.bmcl.2008.08.058

  日期：2008.9

  Necroptosis is a regulated caspase-independent cell death mechanism characterized by morphological features resembling non-regulated necrosis. Necrotatin-7 (Nec-7), a novel potent small-molecule inhibitor of necroptosis, is structurally distinct from previously described necrostatins (Nec-1, Nec-3, Nec-4 and Nec-5). Here, we describe a series of structural modi. cations and the structure-activity relationship (SAR) of the Nec-7 series for inhibiting necroptosis. (C) 2008 Elsevier Ltd. All rights reserved.