benzyl-[2-(4,4-dimethyl-4,5-dihydrooxazol-2-yl)phenyl]amine | 1278527-31-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: benzyl-[2-(4,4-dimethyl-4,5-dihydrooxazol-2-yl)phenyl]amine
• 英文别名: N-benzyl-2-(4,4-dimethyl-4,5-dihydrooxazol-2-yl)aniline；N-benzyl-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)aniline
• CAS: 1278527-31-3
• 化学式: C₁₈H₂₀N₂O
• 分子量: 280.37
• InChiKey: DMCCIVOCOKHPNR-UHFFFAOYSA-N

物化性质

• 熔点：
  80 °C
• 沸点：
  428.7±28.0 °C(Predicted)
• 密度：
  1.09±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  33.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-氨基-2-甲基-1-丙醇 、 N-苄基靛红酸酐 在 zinc(II) chloride 作用下， 以 氯苯 为溶剂， 反应 24.0h， 以72%的产率得到benzyl-[2-(4,4-dimethyl-4,5-dihydrooxazol-2-yl)phenyl]amine
  参考文献：
  名称：

  Amino Oxazolines as Easily Accessible Water Stable Ligands for Palladium Catalysed Aqueous Heck Reaction

  摘要：

  针对钯催化的 Heck 反应筛选出了一系列氨基噁唑啉配体。这些配体在水性胶束介质中作为不含膦的体系运行良好，可有效回收并在后续循环中重复使用。

  DOI：

  10.3184/174751911x13100589976564

文献信息

• Amino Oxazolines as Easily Accessible Water Stable Ligands for Palladium Catalysed Aqueous Heck Reaction
  作者：Akeel S. Saiyed、Reshma S. Joshi、Ashutosh V. Bedekar

  DOI：10.3184/174751911x13100589976564

  日期：2011.7

  A series of amino oxazolinyl ligands were screened for palladium catalysed Heck reaction. These ligands work well as phosphine free system in aqueous, micellar medium, can be effectively recovered and reused for subsequent cycles.

  针对钯催化的 Heck 反应筛选出了一系列氨基噁唑啉配体。这些配体在水性胶束介质中作为不含膦的体系运行良好，可有效回收并在后续循环中重复使用。
• Amino oxazolines as a new class of organocatalyst for the direct intermolecular asymmetric aldol reaction between acetone and aromatic aldehydes
  作者：Akeel S. Saiyed、Ashutosh V. Bedekar

  DOI：10.1016/j.tetasy.2013.07.020

  日期：2013.9

  A series of chiral amino oxazolines were synthesized and screened as organocatalysts for asymmetric intermolecular aldol reactions between acetone and aromatic aldehydes. The reaction works well with a range of aromatic aldehydes showing good to high selectivity. The present new system of the organocatalyst was effective for the asymmetric aldol reaction for a wide range of aromatic aldehydes and isatin to carry out an asymmetric carbon-carbon bond forming reaction with a high enantioselectivity of up to 91%. (C) 2013 Elsevier Ltd. All rights reserved.