(l,d)-3-phenyl-2-(1,2,4-triazol-4-yl)propionic acid | 1247194-95-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: (l,d)-3-phenyl-2-(1,2,4-triazol-4-yl)propionic acid
• 英文别名: 3-phenyl-2-(4H-1,2,4-triazol-4-yl)propanoicacid；3-phenyl-2-(1,2,4-triazol-4-yl)propanoic acid
• CAS: 1247194-95-1
• 化学式: C₁₁H₁₁N₃O₂
• 分子量: 217.227
• InChiKey: KEOXVICPTZVFDH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  68
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (l,d)-3-phenyl-2-(1,2,4-triazol-4-yl)propionic acid 、 水 、 silver nitrate 生成 [Ag(μ₄-trphe)]*H₂O
  参考文献：
  名称：

  Ag(I)-triazolylcarboxylates: The role of hydrocarbon tails in the formation of “sitting-on-layer” supramolecular bowls

  摘要：

  Several alpha-amino acids, (l,d)-alanine and (l,d)-phenylalanine were utilized, as precursors for synthesis of 1,2,4-triazolyl carboxylic acids (l,d)-trala-H and (l,d)-trphe-H, which were explored as angular bifunctional building blocks for engineering Ag(I)-coordination polymers. Two complexes, [Ag(mu(4)-trala)]center dot H2O (1) and [Ag(mu(4)-trphe)]center dot H2O (2), were prepared under mild hydrothermal conditions and characterized. The organic ligands coordinate silver cations in a deprotonated form via a N2O2 donor set, where the tr group behaves in a [N-N] mode while the carboxylate function serves as a mu(2)-eta(2):eta(0) bridge. Complexes 1 and 2 possess a layered structure consisting of [Ag([N-N]-tr)(COO)](n) chains which are interlinked through ligand spacers. Being oriented toward the neighboring layers, the hydrocarbon side "tails" display a peculiar role in the supramolecular organization of "sitting-on-layer" three-dimensional baskets. Each container is pleasantly suitable for binding a water molecule via an H-bonding acceptor portal of carboxylate fragments. (C) 2015 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2015.10.026
• 作为产物：
  描述：

  methanalazine 、 DL-苯丙氨酸 在 对甲苯磺酸 作用下， 生成 (l,d)-3-phenyl-2-(1,2,4-triazol-4-yl)propionic acid
  参考文献：
  名称：

  Ag(I)-triazolylcarboxylates: The role of hydrocarbon tails in the formation of “sitting-on-layer” supramolecular bowls

  摘要：

  Several alpha-amino acids, (l,d)-alanine and (l,d)-phenylalanine were utilized, as precursors for synthesis of 1,2,4-triazolyl carboxylic acids (l,d)-trala-H and (l,d)-trphe-H, which were explored as angular bifunctional building blocks for engineering Ag(I)-coordination polymers. Two complexes, [Ag(mu(4)-trala)]center dot H2O (1) and [Ag(mu(4)-trphe)]center dot H2O (2), were prepared under mild hydrothermal conditions and characterized. The organic ligands coordinate silver cations in a deprotonated form via a N2O2 donor set, where the tr group behaves in a [N-N] mode while the carboxylate function serves as a mu(2)-eta(2):eta(0) bridge. Complexes 1 and 2 possess a layered structure consisting of [Ag([N-N]-tr)(COO)](n) chains which are interlinked through ligand spacers. Being oriented toward the neighboring layers, the hydrocarbon side "tails" display a peculiar role in the supramolecular organization of "sitting-on-layer" three-dimensional baskets. Each container is pleasantly suitable for binding a water molecule via an H-bonding acceptor portal of carboxylate fragments. (C) 2015 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2015.10.026