6-{2-[4-(tert-Butyl-dimethyl-silanyloxymethyl)-phenyl]-1-methyl-ethyl}-4-hydroxy-3-propionyl-pyran-2-one | 808132-22-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 6-{2-[4-(tert-Butyl-dimethyl-silanyloxymethyl)-phenyl]-1-methyl-ethyl}-4-hydroxy-3-propionyl-pyran-2-one
• CAS: 808132-22-1
• 化学式: C₂₄H₃₄O₅Si
• 分子量: 430.616
• InChiKey: CLISBFMWSCMFER-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.81
• 重原子数：
  30.0
• 可旋转键数：
  8.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  76.74
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  6-{2-[4-(tert-Butyl-dimethyl-silanyloxymethyl)-phenyl]-1-methyl-ethyl}-4-hydroxy-3-propionyl-pyran-2-one 在 sodium chlorite 、 sodium dihydrogenphosphate 、 2-甲基-2-丁烯 、 碳酸氢钠 、 戴斯-马丁氧化剂 、 溶剂黄146 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 叔丁醇 、 苯 为溶剂， 反应 17.0h， 生成 4-[2-(4-Hydroxy-6-oxo-5-propionyl-6H-pyran-2-yl)-propyl]-benzoic acid methyl ester
  参考文献：
  名称：

  Myxopyronin B analogs as inhibitors of RNA polymerase, synthesis and biological evaluation

  摘要：

  A series of myxopyronin B analogs has been prepared via a convergent synthetic route and were tested for in vitro inhibitory activity against DNA-dependent RNA polymerase and antibacterial activity against E. coli and S. aureus. The parent lead compound proved to be very sensitive to even small changes. Only the achiral desmethyl myxopyronin B (1a) provided enhanced potency. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.08.045
• 作为产物：
  描述：

  6-ethyl-4-hydroxy-3-propionyl-2H-pyran-2-one 、 ((4-(bromomethyl)benzyl)oxy)(tert-butyl)dimethylsilane 在 六甲基磷酰三胺 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以55%的产率得到6-{2-[4-(tert-Butyl-dimethyl-silanyloxymethyl)-phenyl]-1-methyl-ethyl}-4-hydroxy-3-propionyl-pyran-2-one
  参考文献：
  名称：

  Myxopyronin B analogs as inhibitors of RNA polymerase, synthesis and biological evaluation

  摘要：

  A series of myxopyronin B analogs has been prepared via a convergent synthetic route and were tested for in vitro inhibitory activity against DNA-dependent RNA polymerase and antibacterial activity against E. coli and S. aureus. The parent lead compound proved to be very sensitive to even small changes. Only the achiral desmethyl myxopyronin B (1a) provided enhanced potency. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.08.045