2-(2,3-dihydro-1H-inden-2-ylamino)-2-phenylethanol | 1207760-25-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: 2-(2,3-dihydro-1H-inden-2-ylamino)-2-phenylethanol
• CAS: 1207760-25-5
• 化学式: C₁₇H₁₉NO
• 分子量: 253.344
• InChiKey: ZEGPBCDHHWXGTQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  32.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  氧化苯乙烯 、 2-氨基茚 以 乙醇 、 乙腈 为溶剂， 240.0 ℃ 、1.72 MPa 条件下， 反应 0.25h， 以68%的产率得到2-(2,3-dihydro-1H-inden-2-ylamino)-1-phenylethanol
  参考文献：
  名称：

  CONTINUOUS FLOW SYNTHESIS OF AMINO ALCOHOLS USING MICROREACTORS

  摘要：

  本发明提供了在微反应器环境中合成化学物种的各种方法。在某些情况下，本发明的反应产物可能作为药物和聚合物研究中的中间体和/或产品具有价值。例如，该方法可能涉及在微通道内合成氨基醇。本文描述的实施方式可能允许在显著较短的反应时间和增加的效率下进行反应。

  公开号：

  US20110118469A1

文献信息

• Aminolysis of Epoxides in a Microreactor System: A Continuous Flow Approach to β-Amino Alcohols
  作者：Matthew W. Bedore、Nikolay Zaborenko、Klavs F. Jensen、Timothy F. Jamison

  DOI：10.1021/op9003136

  日期：2010.3.19

  The use of a continuous flow microreactor for beta-amino alcohol formation by epoxide aminolysis is evaluated. Comparison to microwave batch reactions reveals that conditions obtainable in the microreactor can match or improve yields in many eases. By increasing the pressure of the system, maximum temperatures can also exceed those accessible using a microwave unit. The use of a microreactor for epoxide aminolysis reactions in the synthesis of two pharmaceutical relevant compounds is described.
• Kinetic and Scale-Up Investigations of Epoxide Aminolysis in Microreactors at High Temperatures and Pressures
  作者：Nikolay Zaborenko、Matthew W. Bedore、Timothy F. Jamison、Klavs F. Jensen

  DOI：10.1021/op100252m

  日期：2011.1.21

  A continuous-flow microreactor is applied for a kinetic study of a model beta-amino alcohol formation by epoxide aminolysis. A large number of experiments are performed in a short time with minimal reagent consumption. The kinetics of formation of secondary aminolysis between starting epoxide and product are decoupled from the primary synthesis, constructing a complete model for desired product formation. The activation energy for the formation of desired product is observed to be higher than those for regioisomer formation and for secondary aminolysis, indicating that increasing temperature improves selectivity in addition to accelerating the reaction. A set of optimized conditions is then selected for best reaction performance, and the process is scaled up to a 100-fold larger reactor volume with model predictions in good agreement with measured process performance.
• CONTINUOUS FLOW SYNTHESIS OF AMINO ALCOHOLS USING MICROREACTORS
  申请人：Bedore Matthew W.

  公开号：US20110118469A1

  公开（公告）日：2011-05-19

  The present invention provides various methods for the synthesis of chemical species in a microreactor environment. In some cases, reaction products of the present invention may be valuable as intermediates and/or products in pharmaceutical and polymer research. For example, the method may involve the synthesis of amino alcohols within a microchannel. Embodiment described herein may allow for reactions with significantly shorter reaction times and increased efficiency.

  本发明提供了在微反应器环境中合成化学物种的各种方法。在某些情况下，本发明的反应产物可能作为药物和聚合物研究中的中间体和/或产品具有价值。例如，该方法可能涉及在微通道内合成氨基醇。本文描述的实施方式可能允许在显著较短的反应时间和增加的效率下进行反应。