Cu[rac-N-aminoethyl-Asp] | 83891-86-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Cu[rac-N-aminoethyl-Asp]
• 英文别名: Cu[rac-N-aminoethyl aspartate]；(ethylenediaminemonosuccinato)copper(II)；Cu(ethylenediaminemonosuccinate)
• CAS: 83891-86-5；132695-89-7
• 化学式: C₆H₁₀N₂O₄*Cu
• 分子量: 237.702
• InChiKey: NBHVGYUEBBVZQM-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -4.21
• 重原子数：
  13.0
• 可旋转键数：
  6.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  118.31
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  咪唑 、 Cu[rac-N-aminoethyl-Asp] 以 not given 为溶剂， 生成 imidazole(ethylenediaminemonosuccinato)copper(II) dihydrate
  参考文献：
  名称：

  Suyarov, K. D.; Shkol'nikova, L. M.; Poznyak, A. L., Koordinatsionnaya Khimiya, 1990, vol. 16, p. 808 - 812

  摘要：

  DOI：
• 作为产物：
  描述：

  乙二胺 、 富马酸 、 copper(l) chloride 反应 68.0h， 以15%的产率得到Cu[rac-N-aminoethyl-Asp]
  参考文献：
  名称：

  Copper(II) complexes with N -substituted aspartic acids: A new one-pot synthesis method via in situ Michael addition of amines to fumaric acid

  摘要：

  The hydrothermal reaction of fumaric acid, benzylamine and cuprous chloride yielded Cu[(rac-N-benzyl-Asp)(benzylamine)(H2O)] 1, while ethylenediamine, 1,3-diaminopropane and piperazine produced Cu[rac-N-aminoethyl-Asp] 2, Cu[rac-N-aminopropyl-Asp] 3 and Cu[rac-piperazinyl succinate](2) 4, respectively. Under mild hydrothermal conditions, Michael addition of benzylamine, ethylenediamine, 1,3-diaminopropane and piperazine to fumaric acid led to the formation of racemic mixtures of N-benzyl aspartic acid, N-aminoethyl aspartic acid, N-aminopropyl aspartic acid and piperazinyl succinic acid, respectively. The structure of 1 consists of one-dimensional polymeric chains in which copper cations are bridged by D- and L-N-benzyl aspartate anions alternatively along the chain. Additional benzylamine and water molecules bond to copper cations to complete the Cu[(rac-N-benzyl-Asp)(benzylamine)(H2O)] chain. The structures of 2 and 3 consist of one-dimensional polymeric chains in which copper cations are bridged by D- and L-N-aminoethyl and aminopropyl aspartate anions alternatively along the chains. The structure of 4 is composed of discrete Cu[rac-piperazinyl succinate](2) units that are connected by hydrogen bonds. (C) 2015 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2015.03.020

文献信息

• Poznyak; Antsyshkina; Sadikov, Russian Journal of Inorganic Chemistry, 1998, vol. 43, # 6, p. 875 - 884
  作者：Poznyak、Antsyshkina、Sadikov、Sergienko、Stopolyanskaya

  DOI：——

  日期：——