7-(oxiran-2-ylmethoxy)spiro[chroman-2,1'-cyclopentan]-4-one | 1426137-47-4

• 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'-cyclopentan]-4-one
• 英文别名: 7-(oxiran-2-ylmethoxy)spiro[3H-chromene-2,1'-cyclopentane]-4-one
• CAS: 1426137-47-4
• 化学式: C₁₆H₁₈O₄
• 分子量: 274.317
• InChiKey: SQXJYHSWHIFDFC-UHFFFAOYSA-N

物化性质

• 沸点：
  466.8±45.0 °C(Predicted)
• 密度：
  1.28±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  48.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  7-(oxiran-2-ylmethoxy)spiro[chroman-2,1'-cyclopentan]-4-one 、 2-氨基-5-硝基苯酚 在 lithium bromide 作用下， 以 甲醇 为溶剂， 反应 12.0h， 以55%的产率得到7-[2-Hydroxy-3-(2-hydroxy-4-nitro-anilino)propoxy]spiro[chromane-2,1'-cyclopentane]-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
• 作为产物：
  描述：

  环戊酮 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'-cyclopentan]-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

文献信息

• Synthesis and antitubercular activity of amino alcohol fused spirochromone conjugates
  作者：M. Mujahid、R.G. Gonnade、P. Yogeeswari、D. Sriram、M. Muthukrishnan

  DOI：10.1016/j.bmcl.2012.12.073

  日期：2013.3

  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.