1,3-Dimethyl-5-phenylsulfanylpyrazole-4-carbaldehyde | 129452-23-9

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 1,3-Dimethyl-5-phenylsulfanylpyrazole-4-carbaldehyde
• CAS: 129452-23-9
• 化学式: C₁₂H₁₂N₂OS
• 分子量: 232.306
• InChiKey: MMJPUFGABMZEOF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  60.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,3-Dimethyl-5-phenylsulfanylpyrazole-4-carbaldehyde 在 sodium hydroxide 、 羟胺 作用下， 以 甲醇 为溶剂， 生成 tert-butyl 4-[[(E)-(1,3-dimethyl-5-phenylsulfanylpyrazol-4-yl)methylideneamino]oxymethyl]benzoate
  参考文献：
  名称：

  Identification of antitumor activity of pyrazole oxime ethers

  摘要：

  A series of pyrazole oxime ether derivatives were prepared and examined as cytotoxic agents. In particular, 5-phenoxypyrazole was comparable to doxorubicin, while exhibiting very potent cytotoxicity against XF 498 and HCT15. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.03.082
• 作为产物：
  描述：

  1,3-二甲基-5-吡唑酮 在 氢氧化钾 、 三氯氧磷 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 1,3-Dimethyl-5-phenylsulfanylpyrazole-4-carbaldehyde
  参考文献：
  名称：

  Identification of antitumor activity of pyrazole oxime ethers

  摘要：

  A series of pyrazole oxime ether derivatives were prepared and examined as cytotoxic agents. In particular, 5-phenoxypyrazole was comparable to doxorubicin, while exhibiting very potent cytotoxicity against XF 498 and HCT15. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.03.082

文献信息

• Introduction of <i>N</i>‐Containing Heterocycles into Pyrazole by Nucleophilic Aromatic Substitution
  作者：Min‐Sup Park、Hyun‐Ja Park、Koon Ha Park、Kee‐In Lee

  DOI：10.1081/scc-120030741

  日期：2004.12.31

  Abstract The nucleophilic aromatic substitution on 5‐chloropyrazoles activated by the electron‐withdrawing formyl group offers a useful method to introduce a wide range of N‐containing heterocycles into them. The rate of reaction was greatly affected by the electronic nature of the N‐1 substitution.

  摘要 吸电子甲酰基活化的 5-氯吡唑上的亲核芳香取代为将各种含氮杂环引入其中提供了一种有用的方法。N-1取代的电子性质对反应速率有很大影响。
• Identification of antitumor activity of pyrazole oxime ethers
  作者：Hyun-Ja Park、Kyung Lee、Su-Jin Park、Bangle Ahn、Jong-Cheol Lee、HeeYeong Cho、Kee-In Lee

  DOI：10.1016/j.bmcl.2005.03.082

  日期：2005.7

  A series of pyrazole oxime ether derivatives were prepared and examined as cytotoxic agents. In particular, 5-phenoxypyrazole was comparable to doxorubicin, while exhibiting very potent cytotoxicity against XF 498 and HCT15. (c) 2005 Elsevier Ltd. All rights reserved.