N,N-bis(N-methylenesuccimido)-β-alanine | 281679-55-8

• 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: N,N-bis(N-methylenesuccimido)-β-alanine
• 英文别名: N,N-bis(N-methylenesuccinimido) β-alanine；3-[Bis[(2,5-dioxopyrrolidin-1-yl)methyl]amino]propanoic acid；3-[bis[(2,5-dioxopyrrolidin-1-yl)methyl]amino]propanoic acid
• CAS: 281679-55-8
• 化学式: C₁₃H₁₇N₃O₆
• 分子量: 311.294
• InChiKey: FEGUFBDPGZDDPY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.5
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  115
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  europium(III) oxide 、 N,N-bis(N-methylenesuccimido)-β-alanine 以 水 为溶剂， 生成 tris[N,N-bis(N-methylenesuccinimido) β-alaninato]Eu
  参考文献：
  名称：

  Crystal structure of MSIA and photochromism of Eu3+–MSIA–phen complex

  摘要：

  The title compound N,N-bis(N-methylenesuccimido) beta-alanine (MSIA) was synthesized through the Mannich reaction of succimide with beta-alanine in the formaldehyde solution. The structure of MSIA was determined by single crystal X-ray diffraction. The molecule has two five-membered rings with a dihedral angle of 74.45 degrees instead of 180 degrees in the same plane. The chain of beta-alanine chooses the serrated conformation rather than linear one. Its Eu3+ complex with 1,10-phenanthroline(phen) has good photochromism in aqueous media. (C) 2000 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-2860(99)00367-1
• 作为产物：
  描述：

  丁二酰亚胺 、 聚合甲醛 、 β-丙氨酸 以 水 为溶剂， 反应 0.33h， 以48%的产率得到N,N-bis(N-methylenesuccimido)-β-alanine
  参考文献：
  名称：

  Crystal structure of MSIA and photochromism of Eu3+–MSIA–phen complex

  摘要：

  The title compound N,N-bis(N-methylenesuccimido) beta-alanine (MSIA) was synthesized through the Mannich reaction of succimide with beta-alanine in the formaldehyde solution. The structure of MSIA was determined by single crystal X-ray diffraction. The molecule has two five-membered rings with a dihedral angle of 74.45 degrees instead of 180 degrees in the same plane. The chain of beta-alanine chooses the serrated conformation rather than linear one. Its Eu3+ complex with 1,10-phenanthroline(phen) has good photochromism in aqueous media. (C) 2000 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-2860(99)00367-1