3-(3',3'-diethyltriazeno)indazole | 60298-07-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 英文名称: 3-(3',3'-diethyltriazeno)indazole
• 英文别名: 3-(3,3-diethyl-triaz-1-enyl)-1(2)H-indazole；3,3-Diethyl-1-indazol-3'-yl-triazen；N-ethyl-N-(1H-indazol-3-yldiazenyl)ethanamine
• CAS: 60298-07-9
• 化学式: C₁₁H₁₅N₅
• 分子量: 217.274
• InChiKey: HWHNIIAEFHTXKS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  56.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-氨基吲唑 、 二乙胺 在 盐酸 、 溶剂黄146 、 sodium nitrite 作用下， 以 水 为溶剂， 反应 1.0h， 以52%的产率得到3-(3',3'-diethyltriazeno)indazole
  参考文献：
  名称：

  Synthesis and antiproliferative activity of triazenoindazoles and triazenopyrazoles: a comparative study

  摘要：

  Several triazenoindazoles and triazenopyrazoles were prepared transforming the appropriate aminoindazoles and aminopyrazoles in the corresponding diazonium salts which were reacted with dimethylamine, diethylamine and pyrrolidine. All the triazenes were tested for their anti proliferative activity against K562. HL60, L1210 and MCF7 cell lines. The biological data showed that the benzocondensation plays a positive role on the antiproliferative activity. The H-1-NMR spectra showed that the rotational barrier around the N-2-N-3, bond in the triazene group can be influenced both by the position of this group in the indazole nucleus and by the substitution pattern in the benzene moiety. (C) 2003 Elsevier SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2003.11.012