5,5'-((2-nitroethene-1,1-diyl)bis(azanediyl))bis(pentan-1-ol) | 1456912-97-2

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: 5,5'-((2-nitroethene-1,1-diyl)bis(azanediyl))bis(pentan-1-ol)
• 英文别名: 5-[[1-(5-Hydroxypentylamino)-2-nitroethenyl]amino]pentan-1-ol；5-[[1-(5-hydroxypentylamino)-2-nitroethenyl]amino]pentan-1-ol
• CAS: 1456912-97-2
• 化学式: C₁₂H₂₅N₃O₄
• 分子量: 275.348
• InChiKey: QCGCUJNOVCAMLY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  19
• 可旋转键数：
  12
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  110
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  5-氨基-1-戊醇 、 1,1-双(甲硫基)-2-亚硝基乙烯 以 乙醇 为溶剂， 反应 48.0h， 以99%的产率得到5,5'-((2-nitroethene-1,1-diyl)bis(azanediyl))bis(pentan-1-ol)
  参考文献：
  名称：

  1,1-Diamino-2-nitroethylenes as excellent hydrogen bond donor organocatalysts in the Michael addition of carbon-based nucleophiles to β-nitrostyrenes

  摘要：

  A new class of hydrogen bond donor catalysts based on the 1,1-diamino-2-nitreethylene scaffold has been introduced for the activation of trans-beta-nitrostyrenes toward reactions with a range of carbon-based nucleophiles, affording the corresponding adducts in excellent yields. Importantly, this new set of organocatalysts is easily prepared from commercially available starting materials in mild reaction conditions. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.08.040

文献信息

• 1,1-Diamino-2-nitroethylenes as excellent hydrogen bond donor organocatalysts in the Michael addition of carbon-based nucleophiles to β-nitrostyrenes
  作者：Rodrigo C. da Silva、Gustavo P. da Silva、Diego P. Sangi、João G. de M. Pontes、Antônio G. Ferreira、Arlene G. Corrêa、Márcio W. Paixão

  DOI：10.1016/j.tet.2013.08.040

  日期：2013.10

  A new class of hydrogen bond donor catalysts based on the 1,1-diamino-2-nitreethylene scaffold has been introduced for the activation of trans-beta-nitrostyrenes toward reactions with a range of carbon-based nucleophiles, affording the corresponding adducts in excellent yields. Importantly, this new set of organocatalysts is easily prepared from commercially available starting materials in mild reaction conditions. (C) 2013 Elsevier Ltd. All rights reserved.