H2LDL‑phe | 1164117-92-3

• 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: H2LDL‑phe
• 英文别名: N-[(imidazol-4-yl)methylidene]-DL-phenylalanine；H₂L^DL-phe
• CAS: 1164117-92-3
• 化学式: C₁₃H₁₃N₃O₂
• 分子量: 243.265
• InChiKey: DFVLMUZHJRFHDI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.52
• 重原子数：
  18.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  78.34
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  copper(II) choride dihydrate 、 H2LDL‑phe 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  铜 (II) 和锌 (II) 配合物与咪唑-4-甲醛衍生物和 DL-苯丙氨酸的 1:1 缩合产物的对映选择性组装结构

  摘要：

  铜 (II) 与三齿配体 H2LR（R = H、2-Me 和 5-Me）的配合物源自 DL-苯丙氨酸和咪唑-4-甲醛衍生物（咪唑-4-甲醛）的 1:1 缩合产物...

  DOI：

  10.1246/bcsj.82.458
• 作为产物：
  描述：

  DL-苯丙氨酸 、 4-咪唑甲醛 以 甲醇 、 水 为溶剂， 反应 0.5h， 生成 H2LDL‑phe
  参考文献：
  名称：

  铜 (II) 和锌 (II) 配合物与咪唑-4-甲醛衍生物和 DL-苯丙氨酸的 1:1 缩合产物的对映选择性组装结构

  摘要：

  铜 (II) 与三齿配体 H2LR（R = H、2-Me 和 5-Me）的配合物源自 DL-苯丙氨酸和咪唑-4-甲醛衍生物（咪唑-4-甲醛）的 1:1 缩合产物...

  DOI：

  10.1246/bcsj.82.458

文献信息

• Synthesis, Structure, Luminescence, and Magnetic Properties of a Single-Ion Magnet “<i>mer</i>”-[Tris(<i>N</i>-[(imidazol-4-yl)-methylidene]-<scp>dl</scp>-phenylalaninato)terbium(III) and Related “<i>fac</i>”-<scp>dl</scp>-Alaninato Derivative
  作者：Suguru Yamauchi、Takeshi Fujinami、Naohide Matsumoto、Naotaka Mochida、Takayuki Ishida、Yukinari Sunatsuki、Masayuki Watanabe、Masanobu Tsuchimoto、Cecilia Coletti、Nazzareno Re

  DOI：10.1021/ic5001599

  日期：2014.6.16

  and easy-axis (Ising type) magnetic anisotropies for 1 and 2, respectively. Highly efficient luminescences with Φ = 0.50 and 0.61 for 1 and 2, respectively, were observed, and the luminescence fine structure due to the 5D4 → 7F6 transition is in good accordance with the energy diagram determined from magnetic analysis. The energy diagram of 1 shows an approximate single-well potential curve, whereas that

  两个具有相同N 6 O 3供体原子但配位几何结构不同的Tb III络合物，“ fac ”-[Tb III（HL dl -ala）3 ]·7H 2 O（1）和“ mer ”-[Tb III（HL）合成了dl -phe）3 ]·7H 2 O（2），其中H 2 L dl -ala和H 2 L dl -phe是N -[（咪唑-4-基）亚甲基] -dl-丙氨酸和-d1-苯丙氨酸。每个Tb III离子均由三个电子单负NNO三齿配体配位，以形成三重三角棱镜的配位几何形状。化合物1由对映异构体“ fac ”-[Tb III（HL d -ala）3 ]和“ fac ”-[Tb III（HL 1- al）3 ]组成，而化合物2由“ mer ”-[Tb III（HL d）（HL ）组成d -phe）2（HL l- phe）]和“mer ”-[Tb III（HL d -phe）（HL l -phe）2 ]。通过自旋哈密顿量分析了磁数据，包括对Tb
• ‘Facial’ and ‘meridional’ coordination geometries and luminescence properties of tris(N-[(imidazol-4-yl)methylidene]-dl-alaninato)europium(III) and tris(N-[(imidazol-4-yl)methylidene]-dl-phenylalaninato)europium(III)
  作者：Suguru Yamauchi、Tomotaka Hashibe、Mami Murase、Hiroaki Hagiwara、Naohide Matsumoto、Masanobu Tsuchimoto

  DOI：10.1016/j.poly.2012.10.003

  日期：2013.1

  Two racemic tridentate ligands, N-[(imidazol-4-yl)methylidene]-DL-alanine (H2LDL-ala) and N-[(imidazol-4-yl)methylidene]-DL-phenylalanine (H2LDL-phe), were synthesized by the 1:1 condensation reaction of 4-formylimidazole and either of DL-alanine and DL-phenylalanine, respectively. The Eu-III complexes 'fac'-[Eu-III(HLDL-ala)(3)]center dot 8H(2)O (1) and 'mer'-[Eu-III(HLDL-phe)(3)]center dot 7.75H(2)O (2) were synthesized by mixing the ligand and Eu-III(acetate)(3) n-hydrate with 3:1 M ratio in methanol and the crystal structures were determined. Compounds 1 and 2 with three tridentate ligands have 'facial' and 'meridional' geometries, respectively, while they have a tricapped trigonal prismatic (TTP) and a capped square antiprismatic (CSAP) coordination geometry, respectively. In the crystal lattice, 1 consists of enantiomers 'fac'-[Eu-III(HLD-ala)(3)] and 'fac'-[Eu-III(HLL-ala)(3)], while 2 consists of 'mer'-[Eu-III(HLD-phe)(2)(HLL-phe)] and 'mer'-[Eu-III(HLD-phe)(HLL-phe)(2)]. Compounds 1 and 2 displayed sharp emission bands based on the f-f transitions by excitation and showed a different emission pattern due to their 'fac'- and 'mer'-coordination geometries. The luminescence quantum yields and life times of 1 and 2 were estimated to be (Phi = 0.25 and 1.40 ms) and (Phi = 0.30 and 1.23 ms), respectively. (c) 2012 Elsevier Ltd. All rights reserved.
• Luminescent DyIII single ion magnets with same N6O3 donor atoms but different donor atom arrangements, ‘fac’-[DyIII(HLDL-ala)3]·8H2O and ‘mer’-[DyIII(HLDL-phe)3]·7H2O
  作者：Daisuke Hamada、Takeshi Fujinami、Suguru Yamauchi、Naohide Matsumoto、Naotaka Mochida、Takayuki Ishida、Yukinari Sunatsuki、Masanobu Tsuchimoto、Cecilia Coletti、Nazzareno Re

  DOI：10.1016/j.poly.2016.01.048

  日期：2016.4

  Two Dym complexes with same N603 donor atoms but different donor atom arrangements 'fac'-[Dy-III(HLDL-ala)(3)]center dot 8H(2)O (1) and 'mer'-[Dy-III(HLDL-phe)(3)]center dot 7H(2)O (2) were synthesized, where H2LDL-ala and H2LDL-phe are tridentate NNO ligands of N-Rimidazol-4-yl)methylidene]-DL-alanine and N-[(imidazol-4-yl)methylidene]-DL-phenylalanine, respectively. Each Dy-III ion is coordinated by three mono-deprotonated mono-negative NNO tridentate ligands to form a nona-coordination geometry of a tricapped trigonal prism (TTP). 1 consists of enantiomers 'fac'-[Dy-III(HLD-ala)(3)], and 'fac'-[Dy-III(HLL-ala)(3)], while 2 consists of 'mer'-[Dy-III(HLD-phe)(2)(HLL-phe)] and 'mer'-[Dy-III(HLD-phe)(HLL-ala)(2)]. The temperature dependence of the magnetic susceptibilities and field-dependence of the magnetization of two complexes showed the different magnetic profiles and the Stark splitting of the ground state H-6(15/2) due to the crystal field effect on Dy-III ion (4f(9), J = 15/2, S = 5/2, L = 5, g(J) = 4/3, H-6(15/2)). Luminescence spectra were observed and the fine structures assigned to the F-4(9/2) -> H-6(15/2) transitions are partially observed. 1 and 2 showed an out-of phase signal with frequency-dependence in alternating current (ac) susceptibility under a dc bias field of 1000 Oe, indicative of field induced single ion magnet (SIM). The ac magnetic susceptibilities under 1000 Oe dc field of 2 showed the maximum peaks at the higher temperature than those of 1, indicating that the energy barrier of 2 is larger than that of 1. (C) 2016 Elsevier Ltd. All rights reserved.