[3,5-Bis-((S)-4-isopropyl-4,5-dihydro-oxazol-2-ylmethyl)-2,4,6-trimethyl-phenyl]-acetonitrile | 774577-23-0

• 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: [3,5-Bis-((S)-4-isopropyl-4,5-dihydro-oxazol-2-ylmethyl)-2,4,6-trimethyl-phenyl]-acetonitrile
• CAS: 774577-23-0
• 化学式: C₂₅H₃₅N₃O₂
• 分子量: 409.572
• InChiKey: MNKMQACFTSFYQC-DHIUTWEWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.67
• 重原子数：
  30.0
• 可旋转键数：
  7.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  66.97
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  D-氨基丙醇 、 [3,5-Bis-((S)-4-isopropyl-4,5-dihydro-oxazol-2-ylmethyl)-2,4,6-trimethyl-phenyl]-acetonitrile 在 zinc(II) chloride 作用下， 以 氯苯 为溶剂， 反应 120.0h， 以12%的产率得到
  参考文献：
  名称：

  Synthesis of C1-symmetric chiral tripodal oxazolines through an oxazoline exchange reaction with amino alcohols

  摘要：

  Various C-1-symmetric chiral tripodal tris(oxazolines) with two different oxazoline units were synthesized from chiral C-3-symmetric tris(oxazolines) through an oxazoline exchange reaction with amino alcohols in the presence of zinc chloride. Evaluation of the new oxazolines as chiral molecular receptor showed that some of the receptors have chiral discrimination ability. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.07.107
• 作为产物：
  描述：

  L-缬氨醇 、 2,2',2'-(2,4,6-三甲基苯-1,3,5-三酰基)三乙腈 在 zinc(II) chloride 作用下， 以 氯苯 为溶剂， 反应 60.0h， 以15%的产率得到[3,5-Bis-((S)-4-isopropyl-4,5-dihydro-oxazol-2-ylmethyl)-2,4,6-trimethyl-phenyl]-acetonitrile
  参考文献：
  名称：

  Synthesis of C1-symmetric chiral tripodal oxazolines through an oxazoline exchange reaction with amino alcohols

  摘要：

  Various C-1-symmetric chiral tripodal tris(oxazolines) with two different oxazoline units were synthesized from chiral C-3-symmetric tris(oxazolines) through an oxazoline exchange reaction with amino alcohols in the presence of zinc chloride. Evaluation of the new oxazolines as chiral molecular receptor showed that some of the receptors have chiral discrimination ability. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.07.107

文献信息

• Synthesis of C1-symmetric chiral tripodal oxazolines through an oxazoline exchange reaction with amino alcohols
  作者：Sung-Gon Kim、Hye Ran Seong、Jeongryul Kim、Kyo Han Ahn

  DOI：10.1016/j.tetlet.2004.07.107

  日期：2004.9

  Various C-1-symmetric chiral tripodal tris(oxazolines) with two different oxazoline units were synthesized from chiral C-3-symmetric tris(oxazolines) through an oxazoline exchange reaction with amino alcohols in the presence of zinc chloride. Evaluation of the new oxazolines as chiral molecular receptor showed that some of the receptors have chiral discrimination ability. (C) 2004 Elsevier Ltd. All rights reserved.