(1RS,4SR,5SR,6RS,7RS)-4-ethynyl-4-hydroxy-3-methoxy-7-methyl-6-phenylbicyclo[3.2.1]oct-2-en-8-one

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1RS,4SR,5SR,6RS,7RS)-4-ethynyl-4-hydroxy-3-methoxy-7-methyl-6-phenylbicyclo[3.2.1]oct-2-en-8-one
• 英文别名: (1R,4S,5S,6R,7R)-4-ethynyl-4-hydroxy-3-methoxy-7-methyl-6-phenylbicyclo[3.2.1]oct-2-en-8-one
• 化学式: C₁₈H₁₈O₃
• 分子量: 282.339
• InChiKey: XTQDHEQHPPRALX-OCPVLLBTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  (1RS,5RS,6RS,7RS)-3-methoxy-6-methyl-7-phenylbicyclo[3.2.1]-oct-3-ene-2,8-dione 、 乙炔基溴化镁 在 水 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 以60%的产率得到(1RS,4SR,5SR,6RS,7RS)-4-ethynyl-4-hydroxy-3-methoxy-7-methyl-6-phenylbicyclo[3.2.1]oct-2-en-8-one
  参考文献：
  名称：

  Development of an Automated Microfluidic Reaction Platform for Multidimensional Screening: Reaction Discovery Employing Bicyclo[3.2.1]octanoid Scaffolds

  摘要：

  All automated, silicon-based microreactor system has been developed for rapid, low-volume, multidimensional reaction screening. Use of the microfluidic platform to identify transformations of densely functionalized bicyclo[3.2.1]octanoid scaffolds will be described.

  DOI：

  10.1021/jo901073v

文献信息

• Development of an Automated Microfluidic Reaction Platform for Multidimensional Screening: Reaction Discovery Employing Bicyclo[3.2.1]octanoid Scaffolds
  作者：John R. Goodell、Jonathan P. McMullen、Nikolay Zaborenko、Jason R. Maloney、Chuan-Xing Ho、Klavs F. Jensen、John A. Porco、Aaron B. Beeler

  DOI：10.1021/jo901073v

  日期：2009.8.21

  All automated, silicon-based microreactor system has been developed for rapid, low-volume, multidimensional reaction screening. Use of the microfluidic platform to identify transformations of densely functionalized bicyclo[3.2.1]octanoid scaffolds will be described.