bis[4-(N,N-dimethylamino)phenethyl] malonate | 918155-91-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: bis[4-(N,N-dimethylamino)phenethyl] malonate
• 英文别名: Bis{2-[4-(dimethylamino)phenyl]ethyl} propanedioate；bis[2-[4-(dimethylamino)phenyl]ethyl] propanedioate
• CAS: 918155-91-6
• 化学式: C₂₃H₃₀N₂O₄
• 分子量: 398.502
• InChiKey: PPVQTTYXZKHCCQ-UHFFFAOYSA-N

物化性质

• 沸点：
  530.7±40.0 °C(Predicted)
• 密度：
  1.143±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  29
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  59.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-(二甲基氨基)苯乙醇 、 丙二酰氯 在 sodium hydride 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 24.0h， 以80%的产率得到bis[4-(N,N-dimethylamino)phenethyl] malonate
  参考文献：
  名称：

  Alternatively Modified Bingel Reaction for Efficient Syntheses of C₆₀ Hexakis- Adducts

  摘要：

  It was found that the C-60 hexakis-adduct (T-h) bearing 12 electron-donating N,N-dimethylaniline moieties could not be synthesized by the Bingel-Hirsch method with either classical or deviated experimental parameters in a one-pot reaction. A different modification to the original Bingel reaction without the use of any templating agent was necessary for high-yield synthesis of the compound. The generalization of this alternatively modified Bingel method to the preparation of other C-60 hexakis-adducts is demonstrated.

  DOI：

  10.1021/ol062391d

文献信息

• Alternatively Modified Bingel Reaction for Efficient Syntheses of C₆₀ Hexakis- Adducts
  作者：Huaping Li、Sk. Anwarul Haque、Alex Kitaygorodskiy、Mohammed J. Meziani、Maria Torres-Castillo、Ya-Ping Sun

  DOI：10.1021/ol062391d

  日期：2006.11.1

  It was found that the C-60 hexakis-adduct (T-h) bearing 12 electron-donating N,N-dimethylaniline moieties could not be synthesized by the Bingel-Hirsch method with either classical or deviated experimental parameters in a one-pot reaction. A different modification to the original Bingel reaction without the use of any templating agent was necessary for high-yield synthesis of the compound. The generalization of this alternatively modified Bingel method to the preparation of other C-60 hexakis-adducts is demonstrated.