N-(4-(1-(2-ethynyl-3,4,5-trimethoxyphenyl)ethoxy)but-2-yn-1-yl)-4-methyl-N-(prop-2-yn-1-yl)benzenesulfonamide | 1101083-65-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-(4-(1-(2-ethynyl-3,4,5-trimethoxyphenyl)ethoxy)but-2-yn-1-yl)-4-methyl-N-(prop-2-yn-1-yl)benzenesulfonamide
• CAS: 1101083-65-1
• 化学式: C₂₇H₂₉NO₆S
• 分子量: 495.596
• InChiKey: ZKRVYKJESHWIAO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.41
• 重原子数：
  35.0
• 可旋转键数：
  10.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  74.3
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  N-(4-(1-(2-ethynyl-3,4,5-trimethoxyphenyl)ethoxy)but-2-yn-1-yl)-4-methyl-N-(prop-2-yn-1-yl)benzenesulfonamide 在 carbon monoxide,cobalt,cyclopenta-1,3-diene 、 三苯基膦 作用下， 以 氯苯 为溶剂， 反应 0.5h， 以70%的产率得到
  参考文献：
  名称：

  A [2 + 2 + 2]-Cycloaddition Approach toward 6-Oxa-allocolchicinoids with Apoptosis-Inducing Activity

  摘要：

  Following an A -> ABC strategy, a new synthesis of 6-oxa-allocolchicinoids was developed exploiting a microwave-promoted Co- or Rh-catalyzed intramolecular [2 + 2 + 2]-cycloaddition (alkyne cyclotrimerization) as a key step. The approach opens a short and efficient access to a variety of novel compounds, some of which were found to exhibit significant and selective apoptosis-inclucing activities against BJAB tumor cells.

  DOI：

  10.1021/ol802542c
• 作为产物：
  描述：

  4-(1-(2-ethynyl-3,4,5-trimethoxyphenyl)ethoxy)but-2-yn-1-ol 、 4-甲基-N-(丙-2-炔-1-基)苯-1-磺酰胺 在 偶氮二甲酸二异丙酯 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 反应 18.0h， 以75%的产率得到N-(4-(1-(2-ethynyl-3,4,5-trimethoxyphenyl)ethoxy)but-2-yn-1-yl)-4-methyl-N-(prop-2-yn-1-yl)benzenesulfonamide
  参考文献：
  名称：

  A [2 + 2 + 2]-Cycloaddition Approach toward 6-Oxa-allocolchicinoids with Apoptosis-Inducing Activity

  摘要：

  Following an A -> ABC strategy, a new synthesis of 6-oxa-allocolchicinoids was developed exploiting a microwave-promoted Co- or Rh-catalyzed intramolecular [2 + 2 + 2]-cycloaddition (alkyne cyclotrimerization) as a key step. The approach opens a short and efficient access to a variety of novel compounds, some of which were found to exhibit significant and selective apoptosis-inclucing activities against BJAB tumor cells.

  DOI：

  10.1021/ol802542c