7-(oxiran-2-ylmethoxy)spiro[chroman-2,1'-cyclohexan]-4-one | 1300594-03-9

• 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-(oxiran-2-ylmethoxy)spiro[chroman-2,1'-cyclohexan]-4-one
• 英文别名: 7-(2-Oxiranylmethoxy)spiro[2H-1-benzopyran-2,1a(2)-cyclohexan]-4(3H)-one；7-(oxiran-2-ylmethoxy)spiro[3H-chromene-2,1'-cyclohexane]-4-one
• CAS: 1300594-03-9
• 化学式: C₁₇H₂₀O₄
• 分子量: 288.343
• InChiKey: BFIQXCXTHIRJFV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.13
• 重原子数：
  21.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  48.06
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  7-(oxiran-2-ylmethoxy)spiro[chroman-2,1'-cyclohexan]-4-one 在 sodium azide 、 氯化铵 作用下， 以 甲醇 为溶剂， 反应 5.0h， 以88%的产率得到7-(3-azido-2-hydroxypropoxy)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
• 作为产物：
  描述：

  环己酮 在 potassium carbonate 作用下， 以 丙酮 、 乙腈 为溶剂， 反应 36.0h， 生成 7-(oxiran-2-ylmethoxy)spiro[chroman-2,1'-cyclohexan]-4-one
  参考文献：
  名称：

  Synthesis and antitubercular activity of amino alcohol fused spirochromone conjugates

  摘要：

  A series of 21 new amino alcohol fused spirochromone conjugates have been synthesized, characterized with analytical data and evaluated their antimycobacterial activity against Mycobacterium tuberculosis (virulent strain H37Rv) in vitro. Some of the compounds exerted significant inhibition, in particular, compound 4f found to be the most potent derivative exhibiting MIC = 3.13 mu g/mL. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.12.073