di(prop-2-yn-1-yl) 5-((6-hydroxyhexyl)oxy)isophthalate | 1280627-64-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: di(prop-2-yn-1-yl) 5-((6-hydroxyhexyl)oxy)isophthalate
• CAS: 1280627-64-6
• 化学式: C₉H₁₂O₃S
• 分子量: 200.258
• InChiKey: YXDMZSJQZMSTFS-IUCAKERBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.39
• 重原子数：
  13.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  46.53
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  2-噻吩甲醛 、 1-甲氧基-2-丙酮 在 1-(4-{(2S)-2-amino-2-[(S)-1-(hydroxy-diphenyl-methyl)-2-methyl-propylcarbamoyl]-(R)-1-methyl-ethoxycarbonyl}-butyl)-3-methyl-3H-imidazol-1-ium hexafluorophosphates 作用下， 以 甲苯 为溶剂， 反应 24.0h， 生成 、 di(prop-2-yn-1-yl) 5-((6-hydroxyhexyl)oxy)isophthalate
  参考文献：
  名称：

  (S)-Threonine/α,α-(S)-diphenylvalinol-derived chiral ionic liquid: an immobilized organocatalyst for asymmetric syn-aldol reactions

  摘要：

  Chiral ionic liquids containing (S)- or (R)-threonine amide and alpha,alpha-(S)-diphenylvalinol units were synthesized In the presence of the (S)-threonine-derived catalyst reactions between ketones with secondary carbon atom(s) at the alpha-position with respect to the carbonyl group and aromatic (heteroaromatic) aldehydes afforded the corresponding syn-aldols in high yields (up to 99%) and with high diastereo-(syn/anti up to 97:3) and enantioselectivity (up to 99% ee), which was maintained over three reaction cycles. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.01.017