3,3'-(phenylazanediyl)bis(1-phenoxypropan-2-ol) | 3088-05-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3,3'-(phenylazanediyl)bis(1-phenoxypropan-2-ol)
• 英文别名: meso-N.N-Bis-<3-phenoxy-2-hydroxy-propyl>-anilin；dl-N.N-Bis-<3-phenoxy-2-hydroxy-propyl>-anilin；N.N-Bis-<2-hydroxy-3-phenoxy-propyl>-anilin；N,N'-Di-(2-oxy-3-phenoxypropyl)-anilin；Di-(2-hydroxy-3-phenoxypropyl)-anilin；N,N-Bis(3-phenoxy-2-hydroxypropyl)aniline；1-(N-(2-hydroxy-3-phenoxypropyl)anilino)-3-phenoxypropan-2-ol
• CAS: 3088-05-9
• 化学式: C₂₄H₂₇NO₄
• 分子量: 393.483
• InChiKey: PGJOBAKEAXXLSG-UHFFFAOYSA-N

物化性质

• 熔点：
  87-88 °C(Solv: methanol (67-56-1); water (7732-18-5))
• 沸点：
  597.9±50.0 °C(Predicted)
• 密度：
  1.206±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  29
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  62.2
• 氢给体数：
  2
• 氢受体数：
  5

安全信息

• 海关编码：
  2922509090

反应信息

• 作为产物：
  描述：

  苯基缩水甘油醚 、 苯胺 生成 3,3'-(phenylazanediyl)bis(1-phenoxypropan-2-ol)
  参考文献：
  名称：

  苯基缩水甘油醚与苯胺反应的热动力学

  摘要：

  对于不同的反应混合物组成和温度，计算了苯基缩水甘油醚与苯胺反应的热动力学曲线。除了与环氧化物开环相关的主要放热效应外，还观察到了另一种未知性质的放热效应。获得的动力学数据是根据反应产物分子的自聚集引起的结构变化来解释的。“动力学研究”方法提供了量热数据的定量分析。

  DOI：

  10.1007/s11172-005-0261-0

文献信息

• 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。
• A Multicomponent Approach to Oxazolidinone Synthesis Catalyzed by Rare‐Earth Metal Amides
  作者：Meixia Zhou、Xizhou Zheng、Yaorong Wang、Dan Yuan、Yingming Yao

  DOI：10.1002/cctc.201900221

  日期：2019.12.5

  Three‐component reaction of epoxides, amines, and dimethyl carbonate catalyzed by rare‐earth metal amides has been developed to synthesize oxazolidinones. 47 examples of 3,5‐disubstituted oxazolidinones were prepared in 13–97 % yields. This is a simple and most practical method which employs easily available substrates and catalysts, and is applicable to a wide range of aromatic and aliphatic amines

  已开发了稀土金属酰胺催化的环氧化物，胺和碳酸二甲酯的三组分反应，以合成恶唑烷酮。制备了47个3,5-二取代的恶唑烷酮实例，产率为13–97％。这是一种简单且最实用的方法，它使用易于获得的底物和催化剂，适用于各种芳族和脂族胺以及单取代的环氧化物。二取代的环氧化物的范围相当有限，这需要进一步研究。初步的机理研究揭示了通过β-氨基醇或酰胺中间体产生的两种可能的反应途径。
• 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.
• TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF
  申请人：VEPACHEDU SREENIVASARAO

  公开号：US20200069674A1

  公开（公告）日：2020-03-05

  Compounds of Formula I, pharmaceutically acceptable salts thereof, enantiomers thereof, metabolites thereof, derivatives thereof, prodrugs thereof, acid addition salts thereof, pharmaceutically acceptable salts thereof, or N-oxides thereof; or a combination thereof; processes and intermediates for preparation thereof, compositions thereof, and uses thereof; are provided. Pharmaceutical compositions comprising a compound of Formula I, or enantiomers thereof, metabolites thereof, derivatives thereof, prodrugs thereof, acid addition salts thereof, pharmaceutically acceptable salts thereof, or N-oxides thereof; or a combination thereof; wherein the compound is a double and/or triple agent or ligand for CYP2D6, 5-HT2A, and/or 5HT2C receptors, and/or acetylcholinesterase are provided.
• Thermokinetics of the reaction of phenyl glycidyl ether with aniline
  作者：R. M. Vinnik、E. A. Miroshnichenko、V. A. Roznyatovsky

  DOI：10.1007/s11172-005-0261-0

  日期：2005.2

  curves in the reaction of phenyl glycidyl ether with aniline were calculated for various compositions of the reaction mixture and temperatures. In addition to the main exothermic effect related to the epoxide ring opening, another exothermic effect of unknown nature was observed. The kinetic data obtained are explained in terms of structural changes caused by the self-aggregation of the reaction product

  对于不同的反应混合物组成和温度，计算了苯基缩水甘油醚与苯胺反应的热动力学曲线。除了与环氧化物开环相关的主要放热效应外，还观察到了另一种未知性质的放热效应。获得的动力学数据是根据反应产物分子的自聚集引起的结构变化来解释的。“动力学研究”方法提供了量热数据的定量分析。

表征谱图