3-(4-methoxyphenyl)-1-phenyl-4,5-dihydro-1H-pyrazole-5-carbonitrile

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(4-methoxyphenyl)-1-phenyl-4,5-dihydro-1H-pyrazole-5-carbonitrile
• 英文别名: 3-(4-Methoxy-phenyl)-1-phenyl-4,5-dihydro-1h-pyrazole-5-carbonitrile；5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole-3-carbonitrile
• 化学式: C₁₇H₁₅N₃O
• 分子量: 277.326
• InChiKey: BNUXMWKAZQAIMY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  48.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-(4-methoxyphenyl)-1-phenyl-4,5-dihydro-1H-pyrazole-5-carbonitrile 在 盐酸羟胺 、 sodium carbonate 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 乙醇 、 二氯甲烷 、 水 为溶剂， 反应 0.5h， 生成 5-(4-chlorophenyl)-3-(3-(4-methoxyphenyl)-1-phenyl-4,5-dihydro-1H-pyrazol-5-yl)-1,2,4-oxadiazole
  参考文献：
  名称：

  Novel pyrazoline amidoxime and their 1,2,4-oxadiazole analogues: Synthesis and pharmacological screening

  摘要：

  A novel series of pyrazoline amidoxime (2a-d) and pyrazoly-1,2,4-oxadiazole (3a-p) and (4) of pharmacological significance have been synthesised. Structures of newly synthesised compounds were characterized by spectral studies. New compounds were screened for their in vitro antioxidant, antimicrobial and antiinflammatory activities. Among the synthesized compounds, compound 2a, 31 and 30 were found to be active antimicrobial agents in addition to having potent antioxidant activity, while the compound 3f showed promising antiinflammatory activity in comparison with standard drug. (c) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.06.042
• 作为产物：
  描述：

  5-(4-methoxyphenyl)-2-phenyl-2H-tetrazole 、 丙烯腈 以 苯 为溶剂， 反应 2.0h， 以97%的产率得到3-(4-methoxyphenyl)-1-phenyl-4,5-dihydro-1H-pyrazole-5-carbonitrile
  参考文献：
  名称：

  通过温和的，光活化的1,3-偶极环加成反应可以方便地合成高度官能化的吡唑啉。

  摘要：

  成功开发了一种温和的，光活化的1,3-偶极环加成程序，用于合成多取代的吡唑啉。该过程涉及使用302 nm的手持式紫外线灯原位生成反应性腈亚胺偶极子，然后自发环加成具有广泛范围的1,3-双亲油性化合物，具有优异的溶剂相容性，官能团耐受性，区域选择性和屈服。

  DOI：

  10.1021/ol7017328

文献信息

• Rai, Lokanatha; Hassner, Alfred, Synthetic Communications, 1989, vol. 19, # 16, p. 2799 - 2808
  作者：Rai, Lokanatha、Hassner, Alfred

  DOI：——

  日期：——
• Hypervalent Iodine in Synthesis
  作者：Da Wei Chen、Zhen Chu Chen

  DOI：10.1080/00397919508015846

  日期：1995.6

  Oxidation of aldehyde hydrazones with phenyliodine diacetate (PID) generated nitrilimines which were trapped by acrylonitrile to give 1,3-disubstituted 2-pyrazoline-5-carbonitriles in good yields.
• THE SYNTHESIS OF CROSS-LINKED POLY[STYRENE(IODOSO DIACETATE)] AND APPLICATION IN PREPARATION OF PYRAZOLINE
  作者：Xian Huang、Qing Zhu

  DOI：10.1081/scc-100000186

  日期：2001.1

  The 2% cross-linked poly[styrene(iodoso diacetate)] was synthesized, which was applied effectively to the synthesis of pyrazoline derivative, and can be regenerated and reused for the same reaction.
• RAI, K. M. LOKANATHA;HASSNER, ALFRED, SYNTH. COMMUN., 19,(1989) N6, C. 2799-2807
  作者：RAI, K. M. LOKANATHA、HASSNER, ALFRED

  DOI：——

  日期：——
• Chen Da-Wei, Chen Zhen-Chu, Synth. Commun, 25 (1995) N 11, S 1617-1626
  作者：Chen Da-Wei, Chen Zhen-Chu

  DOI：——

  日期：——