tert-butyl-(5,5-dideuterio-dodeca-3,6-diynyloxy)-diphenyl-silane | 668988-57-6

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: tert-butyl-(5,5-dideuterio-dodeca-3,6-diynyloxy)-diphenyl-silane
• CAS: 668988-57-6
• 化学式: C₂₈H₃₆OSi
• 分子量: 418.663
• InChiKey: ABGDZNDOICZVTQ-ZWGOZCLVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.93
• 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：
  0.43
• 拓扑面积：
  9.23
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  tert-butyl-(5,5-dideuterio-dodeca-3,6-diynyloxy)-diphenyl-silane 在 sodium hydroxide 、 乙二胺 sodium tetrahydroborate 、 氢气 、 nickel diacetate 作用下， 以 乙醇 、 水 为溶剂， 以63%的产率得到tert-butyl-(5,5-dideuterio-dodeca-3,6-dienyloxy)-diphenyl-silane
  参考文献：
  名称：

  Synthesis of Site-Specifically Labeled Arachidonic Acids as Mechanistic Probes for Prostaglandin H Synthase

  摘要：

  Prostaglandin H synthase catalyzes the first committed step in the biosynthesis of prostaglandins and thromboxane. Herein we report the synthesis of four site-specifically labeled arachidonic acids for investigation of the radical intermediate formed during this enzymatic reaction. Two compounds were prepared using a common C9-C11 fragment, while another target was synthesized using a previously reported advanced intermediate. An alkyne coupling followed by hydrogenation and Wittig reaction was used to prepare the final labeled substrate.

  DOI：

  10.1021/ol0361711
• 作为产物：
  描述：

  (3-丁炔-1-基氧基)(2-甲基-2-丙基)二苯基硅烷 在 吡啶 、 四溴化碳 、 乙基溴化镁 、 三苯基膦 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 10.0h， 生成 tert-butyl-(5,5-dideuterio-dodeca-3,6-diynyloxy)-diphenyl-silane
  参考文献：
  名称：

  Synthesis of Site-Specifically Labeled Arachidonic Acids as Mechanistic Probes for Prostaglandin H Synthase

  摘要：

  Prostaglandin H synthase catalyzes the first committed step in the biosynthesis of prostaglandins and thromboxane. Herein we report the synthesis of four site-specifically labeled arachidonic acids for investigation of the radical intermediate formed during this enzymatic reaction. Two compounds were prepared using a common C9-C11 fragment, while another target was synthesized using a previously reported advanced intermediate. An alkyne coupling followed by hydrogenation and Wittig reaction was used to prepare the final labeled substrate.

  DOI：

  10.1021/ol0361711