N-(3,5-dimethylbenzyl)-2-(4-isopropyl-4,5-dihydrooxazol-2-yl)aniline | 1453868-46-6

• 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: N-(3,5-dimethylbenzyl)-2-(4-isopropyl-4,5-dihydrooxazol-2-yl)aniline
• 英文别名: N-[(3,5-dimethylphenyl)methyl]-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]aniline
• CAS: 1453868-46-6
• 化学式: C₂₁H₂₆N₂O
• 分子量: 322.45
• InChiKey: LAQWNDOKWNCTFQ-HXUWFJFHSA-N

物化性质

• 沸点：
  472.4±33.0 °C(Predicted)
• 密度：
  1.08±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 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：

  L-缬氨醇 、 1-[(3,5-Dimethylphenyl)methyl]-3,1-benzoxazine-2,4-dione 在 zinc(II) chloride 作用下， 以 氯苯 为溶剂， 反应 24.0h， 以55%的产率得到N-(3,5-dimethylbenzyl)-2-(4-isopropyl-4,5-dihydrooxazol-2-yl)aniline
  参考文献：
  名称：

  Amino oxazolines as a new class of organocatalyst for the direct intermolecular asymmetric aldol reaction between acetone and aromatic aldehydes

  摘要：

  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.

  DOI：

  10.1016/j.tetasy.2013.07.020

文献信息

• 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.