(4bR,9R,9aR)-N-((1S,2S)-2-acetamidocyclohexyl)-7-methoxy-9a-methyl-6-oxo-4b,5,6,9,9a,10-hexahydrobenzo[a]azulene-9-carboxamide | 1181447-84-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: (4bR,9R,9aR)-N-((1S,2S)-2-acetamidocyclohexyl)-7-methoxy-9a-methyl-6-oxo-4b,5,6,9,9a,10-hexahydrobenzo[a]azulene-9-carboxamide
• 英文别名: (4bR,9R,9aR)-N-[(1S,2S)-2-acetamidocyclohexyl]-7-methoxy-9a-methyl-6-oxo-4b,5,9,10-tetrahydrobenzo[a]azulene-9-carboxamide
• CAS: 1181447-84-6
• 化学式: C₂₅H₃₂N₂O₄
• 分子量: 424.54
• InChiKey: OPTXTJOWWNXIJX-ROYUMMMZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  84.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (1R,2S,10S,11S)-13-methoxy-10-methyltetracyclo[9.3.1.02,10.03,8]pentadeca-3,5,7,12-tetraene-14,15-dione 、 (1S,2S)-(+)-1,2-环己二胺 、 乙酸酐 在 1,5,7-三氮杂双环[4.4.0]癸-5-烯 作用下， 以 乙腈 为溶剂， 反应 1.0h， 以27%的产率得到(4bR,9S,9aR)-N-((1S,2S)-2-acetamidocyclohexyl)-7-methoxy-9a-methyl-6-oxo-4b,5,6,9,9a,10-hexahydrobenzo[a]azulene-9-carboxamide
  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.