potassium β-{[(E)-1-(2-hydroxy-3-methylphenyl)ethylidene]amino}propionate | 881690-76-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: potassium β-{[(E)-1-(2-hydroxy-3-methylphenyl)ethylidene]amino}propionate
• 英文别名: potassium β-[[(E)-1-(2-hydroxy-3-methylphenyl)ethylidene]amino]propionate
• CAS: 881690-76-2
• 化学式: C₁₂H₁₄NO₃*K
• 分子量: 259.346
• InChiKey: ZTJFZKYSMAHVOH-KJEVSKRMSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.35
• 重原子数：
  17.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  72.72
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  potassium β-{[(E)-1-(2-hydroxy-3-methylphenyl)ethylidene]amino}propionate 、 三丁基氯化锡 以 氯仿 为溶剂， 以65%的产率得到[Ph3Sn(β-[[(E)-1-(2-hydroxy-3-methylphenyl)ethylidene]amino]propionate)]
  参考文献：
  名称：

  Synthesis, characterization, cytotoxic activity and crystal structures of tri- and di-organotin(IV) complexes constructed from the β-{[(E)-1-(2-hydroxyaryl)alkylidene]amino}propionate and β-{[(2Z)-(3-hydroxy-1-methyl-2-butenylidene)]amino}propionate skeletons

  摘要：

  Reactions of potassium beta-{[(E)-1-(2-hydroxyaryl)alkylidene]amino}propionates ((LHK)-H-1-(LHK)-H-3) and potassium beta-{[(2Z)-(3-hydroxy-1-methyl-2- butenylidene)]amino}propionate ((LHK)-H-4) with R3SnCl (R = Ph and "Bu) and "Bu2SnCl2 yielded complexes of composition (Ph3SnLH)-H-2 (1), (Ph3SnLH)-H-1 (2), (Ph3SnLH)-H-2 (3), (Bu3SnLH)-H-1 (4), and {["Bu2Sn(L-2 H)](2)O}(2) (5) and {[''Bu2Sn((LH)-H-3)](2)O}(2) (6), respectively. These complexes have been characterized by H-1, C-13, Sn-119 NMR, ESI-MS, IR and Sn-119 Mossbauer spectroscopic techniques in combination with elemental analyses. The crystal structures of 1, 4, 5 and 6 were determined. In the solid state, compound 1 is a one-dimensional polymer built from SnBu3 moieties bridged by single carboxylate ligands, but two alternating modes of bridging are present along the polymeric chain. Compound 4 is also a one-dimensional polymer built from SnBu3 moieties bridged by the two carboxylate O-atoms of a single ligand, but only one mode of bridging is present. Di-n-butyltin compounds 5 and 6 are centrosymmetric tetranuclear bis(dicarboxylatotetrabutyldistannoxane) complexes containing a planar Sn4O2 core in which two mu(3)-oxo O-atoms connect an Sn2O2 ring to two exocyclic Sn-atoms. The four carboxylate ligands display two different modes of coordination where both modes involve bridging of two Sn-atoms. The solution structures were predicted by Sn-119 NMR spectroscopy. The in vitro cytotoxic activity of compound 5 against WIDR, M19 MEL, A498, IGROV, H226, MCF7 and EVSA-T human tumor cell lines is reported. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2005.10.057
• 作为产物：
  描述：

  1-(2-羟基-3-甲基-苯基)-乙酮 、 β-丙氨酸 在 氢氧化钾 作用下， 以 甲醇 、 水 为溶剂， 反应 6.0h， 以70%的产率得到potassium β-{[(E)-1-(2-hydroxy-3-methylphenyl)ethylidene]amino}propionate
  参考文献：
  名称：

  Synthesis, characterization, cytotoxic activity and crystal structures of tri- and di-organotin(IV) complexes constructed from the β-{[(E)-1-(2-hydroxyaryl)alkylidene]amino}propionate and β-{[(2Z)-(3-hydroxy-1-methyl-2-butenylidene)]amino}propionate skeletons

  摘要：

  Reactions of potassium beta-{[(E)-1-(2-hydroxyaryl)alkylidene]amino}propionates ((LHK)-H-1-(LHK)-H-3) and potassium beta-{[(2Z)-(3-hydroxy-1-methyl-2- butenylidene)]amino}propionate ((LHK)-H-4) with R3SnCl (R = Ph and "Bu) and "Bu2SnCl2 yielded complexes of composition (Ph3SnLH)-H-2 (1), (Ph3SnLH)-H-1 (2), (Ph3SnLH)-H-2 (3), (Bu3SnLH)-H-1 (4), and {["Bu2Sn(L-2 H)](2)O}(2) (5) and {[''Bu2Sn((LH)-H-3)](2)O}(2) (6), respectively. These complexes have been characterized by H-1, C-13, Sn-119 NMR, ESI-MS, IR and Sn-119 Mossbauer spectroscopic techniques in combination with elemental analyses. The crystal structures of 1, 4, 5 and 6 were determined. In the solid state, compound 1 is a one-dimensional polymer built from SnBu3 moieties bridged by single carboxylate ligands, but two alternating modes of bridging are present along the polymeric chain. Compound 4 is also a one-dimensional polymer built from SnBu3 moieties bridged by the two carboxylate O-atoms of a single ligand, but only one mode of bridging is present. Di-n-butyltin compounds 5 and 6 are centrosymmetric tetranuclear bis(dicarboxylatotetrabutyldistannoxane) complexes containing a planar Sn4O2 core in which two mu(3)-oxo O-atoms connect an Sn2O2 ring to two exocyclic Sn-atoms. The four carboxylate ligands display two different modes of coordination where both modes involve bridging of two Sn-atoms. The solution structures were predicted by Sn-119 NMR spectroscopy. The in vitro cytotoxic activity of compound 5 against WIDR, M19 MEL, A498, IGROV, H226, MCF7 and EVSA-T human tumor cell lines is reported. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2005.10.057