3-[[3,5-bis[[[2-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-3,4-dioxocyclobuten-1-yl]amino]methyl]-2,4,6-trimethylphenyl]methylamino]-4-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]cyclobut-3-ene-1,2-dione | 1350968-70-5

• 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-[[3,5-bis[[[2-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-3,4-dioxocyclobuten-1-yl]amino]methyl]-2,4,6-trimethylphenyl]methylamino]-4-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]cyclobut-3-ene-1,2-dione
• CAS: 1350968-70-5
• 化学式: C₇₅H₇₂N₆O₉
• 分子量: 1201.43
• InChiKey: WIUNUIQGUTZSJW-RATTXREYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.7
• 重原子数：
  90
• 可旋转键数：
  21
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  209
• 氢给体数：
  6
• 氢受体数：
  15

反应信息

• 作为产物：
  描述：

  1,3,5-tris(aminomethyl)-2,4,6-trimethylbenzene 、 3-ethoxyl-4-[(2'S)-2'-(diphenylhydroxymethyl)pyrrolidino]-3-cyclobutene-1,2-dione 以 甲醇 、 二氯甲烷 为溶剂， 反应 48.0h， 生成 3-[[3,5-bis[[[2-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-3,4-dioxocyclobuten-1-yl]amino]methyl]-2,4,6-trimethylphenyl]methylamino]-4-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]cyclobut-3-ene-1,2-dione
  参考文献：
  名称：

  A novel C3-symmetric prolinol-squaramide catalyst for the asymmetric reduction of ketones by borane

  摘要：

  A novel C-3-symmetric prolinol-squaramide has been developed for the asymmetric reduction of ketones by borane. By using only 5 mol % catalyst la for the reaction, high yields and excellent enantioselectivities (up to 95% yield, 93% ee) were obtained. Moreover, la can be easily recovered by simple precipitation and re-used for four cycles without losing the selectivity. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2011.09.020