| 188727-75-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• CAS: 188727-75-5
• 化学式: CO₂*C₂H₇NO
• 分子量: 105.093
• InChiKey: KJZIBPUUBIVGMV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.65
• 重原子数：
  7
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  80.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  二氧化碳 、 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Supramolecular binding of amines with functional magnesium tetraphenylporphyrin for CO2 capture

  摘要：

  In this work, magnesium tetraphenylporphyrin (MgTPP) was used as a new supramolecular amine-fixing agent. Once introduced, CO2 easily competes with MgTPP for amines, leading to the release of MgTPP. The processes can be explained by the fact that the association constant (K-assoc) values of MgTPP with amines were in the range of 0.6 (ethanolamine) to 3.9 (ethylenediamine), which are lower than the K-assoc values of CO2 with these amines. MgTPP interacted with aniline, ethanolamine, pyrrolidine, or ethylenediamine to form 1:1 adducts. Ethylenediamine presents a stronger K-assoc value for MgTPP, so it was considered an optimal agent for CO2 capture. (c) 2013 Jian-Bin Zhang. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2013.01.043

文献信息

• Supramolecular binding of amines with functional magnesium tetraphenylporphyrin for CO2 capture
  作者：Fei Gao、Jian-Bin Zhang、Chun-Ping Li、Tian-Rui Huo、Xiong-Hui Wei

  DOI：10.1016/j.cclet.2013.01.043

  日期：2013.3

  In this work, magnesium tetraphenylporphyrin (MgTPP) was used as a new supramolecular amine-fixing agent. Once introduced, CO2 easily competes with MgTPP for amines, leading to the release of MgTPP. The processes can be explained by the fact that the association constant (K-assoc) values of MgTPP with amines were in the range of 0.6 (ethanolamine) to 3.9 (ethylenediamine), which are lower than the K-assoc values of CO2 with these amines. MgTPP interacted with aniline, ethanolamine, pyrrolidine, or ethylenediamine to form 1:1 adducts. Ethylenediamine presents a stronger K-assoc value for MgTPP, so it was considered an optimal agent for CO2 capture. (c) 2013 Jian-Bin Zhang. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.