(2,6-iPr2C6H3)NC(Npip)N(2,6-iPr2C6H3) | 1255649-91-2

• 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: (2,6-iPr2C6H3)NC(Npip)N(2,6-iPr2C6H3)
• 英文别名: 1,2-Bis[2,6-di(propan-2-yl)phenyl]-3-piperidin-1-ylguanidine；1,2-bis[2,6-di(propan-2-yl)phenyl]-3-piperidin-1-ylguanidine
• CAS: 1255649-91-2
• 化学式: C₃₀H₄₆N₄
• 分子量: 462.722
• InChiKey: ZFTUBVXPZLXMAI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.3
• 重原子数：
  34
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  39.7
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  N,N'-二(2,6-二异丙基苯基)碳二亚胺 、 1-氨基哌啶 在 [Al(NMe₂)3]2 作用下， 以 甲苯 为溶剂， 反应 4.0h， 以95%的产率得到(2,6-iPr2C6H3)NC(Npip)N(2,6-iPr2C6H3)
  参考文献：
  名称：

  Highly Efficient Aluminum-Catalyzed Hydro-amination/-hydrazination of Carbodiimides

  摘要：

  The catalytic activity of commercially available [Al(NMe2)(3)](2) (1) and a dimethyl aluminum guanidinate complex toward the hydro-aminationi-hydrazination of carbodiimides was studied. The guanidinate-supported complex 2 was prepared via salt metathesis reactions of AlMe2Cl and an in situ generated lithium guanidinate reagent. X-ray crystallographic studies revealed the influence of the guanidinate ligand on the Al metal center. Hydroamination reactions were successfully carried out at room temperature with 2 as the catalyst, while 1 proved to be ineffective under these conditions. On the contrary, both 1 and 2 were active toward the hydro-hydrazination of carbodiimides, which were run at elevated temperatures (120 degrees C). Consequently, the reaction temperature had a significant influence on the choice of the catalyst since the catalytically active species can be generated from various precatalysts under different conditions. The formation of guanidines and aminoguanidines showed a high functional group tolerance and typically proceeded with excellent yields at low catalyst loadings. X-ray crystallographic studies of compound 4a revealed interesting structural features of the previously unknown aminoguanidine products. The independently isolated Al aminoguanidinate complex 5 showed catalytic activity toward hydro-hydrazination chemistry and provided valuable evidence in support of the proposed reaction mechanism.

  DOI：

  10.1021/om100735q