1-[1-(2,4-Dihydroxyphenyl)ethylideneamino]-3-phenylthiourea

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 1-[1-(2,4-Dihydroxyphenyl)ethylideneamino]-3-phenylthiourea
• 化学式: C₁₅H₁₅N₃O₂S
• 分子量: 301.369
• InChiKey: XHRPQGLBSAWEOQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  109
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-[1-(2,4-Dihydroxyphenyl)ethylideneamino]-3-phenylthiourea 在 sodium methylate 作用下， 以 甲醇 、 丙酮 为溶剂， 反应 9.5h， 生成
  参考文献：
  名称：

  Preparation and characterization of rhenium(I) complexes with thiosemicarbazone ligands derived from resorcinol

  摘要：

  New neutral tricarbonylrhenium(I) complexes with bidentate thiosemicarbazone ligands derived from resorcinol have been prepared. Ligands were obtained by condensation reactions of 2,4-dihydroxybenzaldehyde (dhb) and 2,4-dihydroxyacetophenone (dha) with thiosemicarbazide derivatives. The metal complexes have been characterized by elemental analysis, mass spectrometry, spectroscopic methods (IR, H-1 NMR) and the crystal structures for eight of these compounds have been elucidated. The Re(I) metal centers are coordinated through the azomethine nitrogen and the sulfur atoms establishing five-membered chelate rings (kappa-S,N(3)). The deprotonation of the ligand HL6 and the labilization of the halogen produces the formation of the dimeric complex [Re-2(L-6)(2)(CO)(6)] by Re-S-Re bridges, where S is the thiolate sulfur atom from a kappa-S,N(3)-bidentate thiosemicarbazonate ligand. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2013.08.038
• 作为产物：
  描述：

  2,4-二羟基苯乙酮 、 4-苯基-3-硫代氨基脲 在 硫酸 作用下， 以 甲醇 、 水 为溶剂， 反应 2.0h， 以73.3%的产率得到1-[1-(2,4-Dihydroxyphenyl)ethylideneamino]-3-phenylthiourea
  参考文献：
  名称：

  Preparation and characterization of rhenium(I) complexes with thiosemicarbazone ligands derived from resorcinol

  摘要：

  New neutral tricarbonylrhenium(I) complexes with bidentate thiosemicarbazone ligands derived from resorcinol have been prepared. Ligands were obtained by condensation reactions of 2,4-dihydroxybenzaldehyde (dhb) and 2,4-dihydroxyacetophenone (dha) with thiosemicarbazide derivatives. The metal complexes have been characterized by elemental analysis, mass spectrometry, spectroscopic methods (IR, H-1 NMR) and the crystal structures for eight of these compounds have been elucidated. The Re(I) metal centers are coordinated through the azomethine nitrogen and the sulfur atoms establishing five-membered chelate rings (kappa-S,N(3)). The deprotonation of the ligand HL6 and the labilization of the halogen produces the formation of the dimeric complex [Re-2(L-6)(2)(CO)(6)] by Re-S-Re bridges, where S is the thiolate sulfur atom from a kappa-S,N(3)-bidentate thiosemicarbazonate ligand. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2013.08.038