5-chloro-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde oxime | 51626-34-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-chloro-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
• 英文别名: 5-chloro-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehydoxime；5-chloro-3-methyl-1-phenyl-1H-pyrazole-4-aldoxime；N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydroxylamine
• CAS: 51626-34-7
• 化学式: C₁₁H₁₀ClN₃O
• mdl: MFCD00226225
• 分子量: 235.673
• InChiKey: FXCSSKUVKXTGJN-UHFFFAOYSA-N

物化性质

• 熔点：
  139.1-139.5 °C
• 沸点：
  384.1±42.0 °C(Predicted)
• 密度：
  1.31±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  50.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-chloro-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde oxime 在 吡啶 、 乙酸酐 、 potassium carbonate 、 一水合肼 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 24.5h， 生成 5-[3-methyl-1-phenyl-4-(pyrrol-1-yl)-1H-thieno[2,3-c]pyrazol-5-yl]-1,3,4-oxadiazole-2(3H)-thione
  参考文献：
  名称：

  Haider, Norbert; Farghaly, Abdel-Rahman; Al-Mekhlafi, Nabil, Journal of Chemical Research, 2005, # 12, p. 761 - 765

  摘要：

  DOI：
• 作为产物：
  描述：

  依达拉奉 在 盐酸羟胺 、 sodium acetate 、 三氯氧磷 作用下， 以 乙醇 为溶剂， 生成 5-chloro-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
  参考文献：
  名称：

  A convenient synthesis and biological activity of novel thieno[2,3-c]pyrazole compounds as antimicrobial and anti-inflammatory agents

  摘要：

  A new method for synthesizing 4-amino-3-methyl-1-phenyl-1H-5-substituted thieno [2,3-cipyrazole was reported. The substituted groups at position 5 include carbonitrile, carboxamide, N-phenyl carboxamide, and benzoyl groups. The newly synthesized compounds and their derivatives were characterized by elemental analysis and spectroscopy (IR, H-1 NMR, and mass spectra). Furthermore, some of these synthesized compounds were screened against various pathogenic bacterial and fungal strains. The results demonstrate that most of the synthesized compounds possess a significant antibacterial activity against gram-positive and gram-negative bacteria. In addition, most of these compounds showed a remarkable anti-fungal activity. On the other hand, some of the synthesized compounds possess high anti-inflammatory activity, which was demonstrated using the carrageenan-induced rat paw edema assay.

  DOI：

  10.1134/s1068162015010057

文献信息

• A convenient synthesis, reactions and biological studies of some novel selenolo[2,3-c]pyrazole compounds as antimicrobial and anti-inflammatory agents
  作者：Remon M. Zaki、Yasser A. El-Ossaily、Ahmed A. Geies

  DOI：10.1007/s00044-016-1536-8

  日期：2016.5

  Furthermore, some of these synthesized compounds were screened against various pathogenic bacterial and fungal strains. The results demonstrate that most of the synthesized compounds possess a significant antibacterial activity against gram-positive and gram-negative bacteria. Also, some of these compounds showed a remarkable antifungal activity, especially Candida albicans. On the other hand, some of the

  摘要在氢硼化钠和氯乙酰胺存在下，将5-氯-3-甲基-1-苯基吡唑-4-甲腈3与硒反应，生成硒酸乙酰胺5，将其与乙醇钠一起加热，进行Thorpe–Ziegler环化反应，制得新颖的合成物4-氨基-3-甲基-1-苯基-1H-硒代[2，3 - c ]吡唑-5-羧酰胺化合物（6）。后一种化合物用作合成其他杂环的通用前体，即嘧啶，咪唑并嘧啶和噻二嗪并嘧啶与硒代[2,3- c]吡唑部分。通过元素和光谱分析（IR，1 H NMR，13 C NMR和质谱分析）对新合成的化合物及其衍生物进行了表征。此外，针对各种病原细菌和真菌菌株筛选了一些合成的化合物。结果表明，大多数合成的化合物对革兰氏阳性和革兰氏阴性细菌均具有显着的抗菌活性。而且，这些化合物中的一些显示出显着的抗真菌活性，尤其是白色念珠菌。另一方面，与消炎痛相比，使用角叉菜胶诱导的大鼠爪水肿试验，某些合成的化合物具有较高的抗炎活性。 图形概要本工作讨论
• Fradkina, S. P.; Kvitko, I. Ya.; Alam, L. V., Journal of Organic Chemistry USSR (English Translation), 1985, vol. 21, # 1, p. 191 - 196
  作者：Fradkina, S. P.、Kvitko, I. Ya.、Alam, L. V.、Fedorova, N. S.

  DOI：——

  日期：——