tert-butyl 7-(3-azido-2-hydroxypropoxy)-4-oxospiro[chroman-2,4'-piperidine]-1'-carboxylate | 1300594-06-2

• 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: tert-butyl 7-(3-azido-2-hydroxypropoxy)-4-oxospiro[chroman-2,4'-piperidine]-1'-carboxylate
• 英文别名: tert-butyl 7-(3-azido-2-hydroxypropoxy)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
• CAS: 1300594-06-2
• 化学式: C₂₁H₂₈N₄O₆
• 分子量: 432.477
• InChiKey: SXRHUKKMNNGSFC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  99.7
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  tert-butyl 7-(3-azido-2-hydroxypropoxy)-4-oxospiro[chroman-2,4'-piperidine]-1'-carboxylate 、 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71%的产率得到tert-butyl 7-(3-(4-butyl-1H-1,2,3-triazol-1-yl)-2-hydroxypropoxy)-4-oxospiro[chroman-2,4'-piperidine]-1'-carboxylate
  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：

  tert-butyl 7-(oxiran-2-ylmethoxy)-4-oxospiro[chroman-2,4'-piperidine]-1'-carboxylate 在 sodium azide 、 氯化铵 作用下， 以 甲醇 为溶剂， 反应 5.0h， 以85%的产率得到tert-butyl 7-(3-azido-2-hydroxypropoxy)-4-oxospiro[chroman-2,4'-piperidine]-1'-carboxylate
  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.