4-[5-(4-methoxyphenyl)-3-propyl-1H-1-pyrazolyl]-1-benzenesulfonamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-[5-(4-methoxyphenyl)-3-propyl-1H-1-pyrazolyl]-1-benzenesulfonamide
• 英文别名: 4-[5-(4-Methoxyphenyl)-3-propylpyrazol-1-yl]benzenesulfonamide；4-[5-(4-methoxyphenyl)-3-propylpyrazol-1-yl]benzenesulfonamide
• 化学式: C₁₉H₂₁N₃O₃S
• 分子量: 371.46
• InChiKey: AZVYGCZPWBPIKD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  95.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-磺酰胺基苯肼盐酸盐 、 在 TEA 作用下， 以 乙醇 为溶剂， 反应 5.0h， 以80%的产率得到4-[5-(4-methoxyphenyl)-3-propyl-1H-1-pyrazolyl]-1-benzenesulfonamide
  参考文献：
  名称：

  Modified reaction conditions to achieve high regioselectivity in the two component synthesis of 1,5-diarylpyrazoles

  摘要：

  The factors affecting regioselectivity during the formation of 1,5-diarylpyrazoles from aryl hydrazines and 1,3-diketones are identified and the regioisomers were characterized by 1D NOESY, LC-NMR and X-ray analyses. A simple alteration in the usual reaction conditions is reported, which allows the exclusive formation of 1,5-diarylpyrazoles. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.08.100

文献信息

• Modified reaction conditions to achieve high regioselectivity in the two component synthesis of 1,5-diarylpyrazoles
  作者：Sunil K. Singh、M. Srinivasa Reddy、S. Shivaramakrishna、D. Kavitha、R. Vasudev、J. Moses Babu、A. Sivalakshmidevi、Y. Koteswar Rao

  DOI：10.1016/j.tetlet.2004.08.100

  日期：2004.10

  The factors affecting regioselectivity during the formation of 1,5-diarylpyrazoles from aryl hydrazines and 1,3-diketones are identified and the regioisomers were characterized by 1D NOESY, LC-NMR and X-ray analyses. A simple alteration in the usual reaction conditions is reported, which allows the exclusive formation of 1,5-diarylpyrazoles. (C) 2004 Elsevier Ltd. All rights reserved.