3-[(1,3-二苯基吡唑-4-基)-(5-硝基-1H-吲哚-3-基)甲基]-5-硝基-1H-吲哚 | 918948-07-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 3-[(1,3-二苯基吡唑-4-基)-(5-硝基-1H-吲哚-3-基)甲基]-5-硝基-1H-吲哚
• 英文名称: 5-nitro-3-[(5-nitro-1H-indol-3-yl)(1,3-diphenyl-1H-pyrazol-4-yl)methyl]-1H-indole
• 英文别名: 3,3'-[(1,3-Diphenyl-1H-pyrazol-4-yl)methylene]bis(5-nitro-1H-indole)；3-[(1,3-diphenylpyrazol-4-yl)-(5-nitro-1H-indol-3-yl)methyl]-5-nitro-1H-indole
• CAS: 918948-07-9
• 化学式: C₃₂H₂₂N₆O₄
• 分子量: 554.564
• InChiKey: YEYRESDUWUDTDR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  42
• 可旋转键数：
  5
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.03
• 拓扑面积：
  141
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  5-硝基吲哚 、 1,3-二苯-1H-吡唑-4-甲醛 在 lewis acidic amorphous mesoporous silicate containing Zr 作用下， 以 乙腈 为溶剂， 以77%的产率得到3-[(1,3-二苯基吡唑-4-基)-(5-硝基-1H-吲哚-3-基)甲基]-5-硝基-1H-吲哚
  参考文献：
  名称：

  Synthesis of pyrazolylbisindoles over mesoporous Lewis acidic ZrTUD-1: Potential application in selective Cu2+ colorimetric detection

  摘要：

  A series of pyrazolylbisindole (PBI) derivatives were prepared by simple condensation of indole and pyrazole aldehyde utilizing amorphous mesoporous ZrTUD-1 having predominant Lewis acid sites. The applicability of pyrazolylbisindolyl derivate as a colorimetric chemosensor with high selectivity toward Cu2+ over other cations were tested. Among heavy and transition metal (HTM) ions in CH3CN solution, the probe only sensed Cu2+ detectable by naked eye. The sensor exhibited a new absorption band at 488 nm (a red shift of 206 nm from 282 nm) with a large colorimetric response and affinity to Cu2+ over other cations tested (Al3+, Pb2+, Cd2+, Mg2+, Mn2+, Zn2+, K+, Fe2+, Ca2+, Cu2+ and Hg2+). (c) 2015 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2015.05.009

文献信息

• Synthesis and anti-microbial activity of pyrazolylbisindoles—Promising anti-fungal compounds
  作者：Ganesabaskaran Sivaprasad、Paramasivan T. Perumal、Vaiyapuri R. Prabavathy、Narayanasamy Mathivanan

  DOI：10.1016/j.bmcl.2006.09.019

  日期：2006.12

  A series of pyrazolylbisindole derivatives have been synthesized by reacting substituted pyrazole aldehydes with substituted indoles using phosphotungstic acid, a Keggin type heteropoly acid as catalyst. The synthesized pyrazolylbisindoles were evaluated for anti-microbial activities. The effect of pyrazolylbisindoles on the mycelial growth of plant pathogenic fungi is revealed. Entries 3c and 3d emerged as the most interesting compounds in this series exhibiting excellent anti-fungal activity. (c) 2006 Elsevier Ltd. All rights reserved.