7-(2-hydroxy-3-(4-(4-pentylphenyl)-1H-1,2,3-triazol-1-yl)propoxy)spiro[chroman-2,1'-cyclohexan]-4-one | 1300594-11-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 7-(2-hydroxy-3-(4-(4-pentylphenyl)-1H-1,2,3-triazol-1-yl)propoxy)spiro[chroman-2,1'-cyclohexan]-4-one
• 英文别名: 7-[2-Hydroxy-3-[4-(4-pentylphenyl)triazol-1-yl]propoxy]spiro[chromane-2,1'-cyclohexane]-4-one；7-[2-hydroxy-3-[4-(4-pentylphenyl)triazol-1-yl]propoxy]spiro[3H-chromene-2,1'-cyclohexane]-4-one
• CAS: 1300594-11-9
• 化学式: C₃₀H₃₇N₃O₄
• 分子量: 503.641
• InChiKey: NHXGDCVGFMTTFB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  37
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  86.5
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-戊基苯乙炔 、 1-己炔 在 copper(ll) sulfate pentahydrate 、 sodium ascorbate 作用下， 以 水 、 叔丁醇 为溶剂， 反应 12.0h， 以75%的产率得到7-(2-hydroxy-3-(4-(4-pentylphenyl)-1H-1,2,3-triazol-1-yl)propoxy)spiro[chroman-2,1'-cyclohexan]-4-one
  参考文献：
  名称：

  Syntheses and biological evaluation of new triazole-spirochromone conjugates as inhibitors of Mycobacterium tuberculosis

  摘要：

  A series of novel 1,2,3-triazole fused spirochromone conjugates have been synthesized bearing both spirochromone moiety as well as a 1,2,3-triazole moiety. Some of the compounds have exhibited potential activity against Mycobacterium tuberculosis (virulent strain H37Rv). In particular 5e proved to be the most potent derivative exhibiting MIC = 0.78 mu g/mL. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.02.099

文献信息

• Syntheses and biological evaluation of new triazole-spirochromone conjugates as inhibitors of Mycobacterium tuberculosis
  作者：M. Muthukrishnan、M. Mujahid、P. Yogeeswari、D. Sriram

  DOI：10.1016/j.tetlet.2011.02.099

  日期：2011.5

  A series of novel 1,2,3-triazole fused spirochromone conjugates have been synthesized bearing both spirochromone moiety as well as a 1,2,3-triazole moiety. Some of the compounds have exhibited potential activity against Mycobacterium tuberculosis (virulent strain H37Rv). In particular 5e proved to be the most potent derivative exhibiting MIC = 0.78 mu g/mL. (C) 2011 Elsevier Ltd. All rights reserved.