2-(苯磺酰基)-2-甲基癸酸乙酯 | 922172-16-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-(苯磺酰基)-2-甲基癸酸乙酯
• 英文名称: ethyl 2-benzenesulfonyl-2-methyldecanoate
• 英文别名: Ethyl 2-(benzenesulfonyl)-2-methyldecanoate；ethyl 2-(benzenesulfonyl)-2-methyldecanoate
• CAS: 922172-16-5
• 化学式: C₁₉H₃₀O₄S
• 分子量: 354.511
• InChiKey: QDMGVDPDJWMTFZ-UHFFFAOYSA-N

物化性质

• 沸点：
  478.8±37.0 °C(Predicted)
• 密度：
  1.065±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  24
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  68.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(苯磺酰基)-2-甲基癸酸乙酯 在 二异丁基氢化铝 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 甲苯 、 正戊烷 为溶剂， 反应 3.33h， 生成 2-(3-benzenesulfonyl-2-hydroxy-3-methyldecyl)-6-methoxy-3,5-dimethyl-4H-pyran-4-one
  参考文献：
  名称：

  Total Synthesis and Biological Evaluation of Verticipyrone and Analogues

  摘要：

  Total synthesis of verticipyrone, a novel NADH-fumarate reductase inhibitor, has been accomplished by a convergent approach using novel "Reverse Julia olefination" method. During total synthetic studies, we also prepared and evaluated several synthetic verticipyrone analogues, some of which exhibited more potent antiparasitic activity than the natural verticipyrone.

  DOI：

  10.1021/ol0626140
• 作为产物：
  描述：

  苯砜乙酸乙酯 在 sodium hexamethyldisilazane 、 sodium hydride 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.5h， 生成 2-(苯磺酰基)-2-甲基癸酸乙酯
  参考文献：
  名称：

  Total Synthesis and Biological Evaluation of Verticipyrone and Analogues

  摘要：

  Total synthesis of verticipyrone, a novel NADH-fumarate reductase inhibitor, has been accomplished by a convergent approach using novel "Reverse Julia olefination" method. During total synthetic studies, we also prepared and evaluated several synthetic verticipyrone analogues, some of which exhibited more potent antiparasitic activity than the natural verticipyrone.

  DOI：

  10.1021/ol0626140

文献信息

• Total Synthesis and Biological Evaluation of Verticipyrone and Analogues
  作者：Hiroyuki Shimamura、Toshiaki Sunazuka、Takashi Izuhara、Tomoyasu Hirose、Kazuro Shiomi、Satoshi Ōmura

  DOI：10.1021/ol0626140

  日期：2007.1.1

  Total synthesis of verticipyrone, a novel NADH-fumarate reductase inhibitor, has been accomplished by a convergent approach using novel "Reverse Julia olefination" method. During total synthetic studies, we also prepared and evaluated several synthetic verticipyrone analogues, some of which exhibited more potent antiparasitic activity than the natural verticipyrone.