tert-butyl 7-(2-hydroxy-3-(4-(4-pentylphenyl)-1H-1,2,3-triazol-1-yl)propoxy)-4-oxospiro[chroman-2,4'-piperidine]-1'-carboxylate | 1300594-15-3

• 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-(2-hydroxy-3-(4-(4-pentylphenyl)-1H-1,2,3-triazol-1-yl)propoxy)-4-oxospiro[chroman-2,4'-piperidine]-1'-carboxylate
• 英文别名: Tert-butyl 7-[2-hydroxy-3-[4-(4-pentylphenyl)triazol-1-yl]propoxy]-4-oxo-spiro[chromane-2,4'-piperidine]-1'-carboxylate；tert-butyl 7-[2-hydroxy-3-[4-(4-pentylphenyl)triazol-1-yl]propoxy]-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
• CAS: 1300594-15-3
• 化学式: C₃₄H₄₄N₄O₆
• 分子量: 604.747
• InChiKey: BQQXTJHBLBFXID-UHFFFAOYSA-N

物化性质

• 熔点：
  62-63 °C
• 沸点：
  780.4±70.0 °C(Predicted)
• 密度：
  1.24±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  44
• 可旋转键数：
  12
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  116
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  tert-butyl 7-hydroxy-4-oxospiro[chroman-2,4'-piperidine]-1'-carboxylate 在 sodium azide 、 copper(ll) sulfate pentahydrate 、 potassium carbonate 、 氯化铵 、 sodium ascorbate 作用下， 以 甲醇 、 水 、 丙酮 、 叔丁醇 为溶剂， 反应 29.0h， 生成 tert-butyl 7-(2-hydroxy-3-(4-(4-pentylphenyl)-1H-1,2,3-triazol-1-yl)propoxy)-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.