1-phenyl-1,2-propanedione bis{N(4)-methylthiosemicarbazone}

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-phenyl-1,2-propanedione bis{N(4)-methylthiosemicarbazone}
• 英文别名: 1-methyl-3-[(E)-[(2E)-2-(methylcarbamothioylhydrazono)-1-phenyl-propylidene]amino]thiourea；1-methyl-3-[(E)-[(1E)-1-(methylcarbamothioylhydrazinylidene)-1-phenylpropan-2-ylidene]amino]thiourea
• 化学式: C₁₃H₁₈N₆S₂
• 分子量: 322.458
• InChiKey: IIYWMJZKABJHJV-BZGNCICPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  137
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-甲基氨基硫脲 、 1-苯基-1,2-丙二酮 在 硫酸 作用下， 以 乙醇 为溶剂， 生成 1-phenyl-1,2-propanedione bis{N(4)-methylthiosemicarbazone}
  参考文献：
  名称：

  Structural and spectral characterization of two 1-phenyl-1,2-propanedione bis{N(4)-alkylthiosemicarbazones}

  摘要：

  1-phenyl-1,2-propanedione bis{N(4)-methyl- and {N(4)-ethylthiosemicarbazone}, H(2)Pm4M and H(2)Pm4E, respectively, have been prepared, studied spectroscopically (H-1 NMR, ultraviolet and infrared) and their crystal structures solved. Intermoiety hydrogen bonding does not occur in H(2)Pm4M and H(2)Pm4E, in contrast to the analogous bis{N(4)-thiosemicarbazones} prepared from 1-phenylglyoxal, The two thiosemicarbazone moieties are on the opposite side of the carbon-carbon backbone, but the N(4)Hs intramolecularly hydrogen bond to the imine nitrogen for each moiety. (C) 1999 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-2860(99)00082-4

文献信息

• THERAPEUTIC METAL COMPLEXES AND LIGANDS AND METHODS OF MAKING AND USING THE SAME
  申请人：Oregon State University

  公开号：US20200188430A1

  公开（公告）日：2020-06-18

  Disclosed herein are compound embodiments that are useful for treating a variety of diseases, particularly neurological diseases, motor neuron diseases, copper deficiency-related diseases, and/or mitochondrial deficiencies. The compound embodiments described herein also can be used in PET methods. Also disclosed herein are embodiments of methods of making and using the compound embodiments, as well as pharmaceutical formulations comprising the disclosed compound embodiments.
• Structural and spectral characterization of two 1-phenyl-1,2-propanedione bis{N(4)-alkylthiosemicarbazones}
  作者：A. Castiñeiras、E. Bermejo、L.J. Ackerman、H. Beraldo、J. Valdés-Martı́nez、S. Hernández-Ortega、D.X. West

  DOI：10.1016/s0022-2860(99)00082-4

  日期：1999.11

  1-phenyl-1,2-propanedione bisN(4)-methyl- and N(4)-ethylthiosemicarbazone}, H(2)Pm4M and H(2)Pm4E, respectively, have been prepared, studied spectroscopically (H-1 NMR, ultraviolet and infrared) and their crystal structures solved. Intermoiety hydrogen bonding does not occur in H(2)Pm4M and H(2)Pm4E, in contrast to the analogous bisN(4)-thiosemicarbazones} prepared from 1-phenylglyoxal, The two thiosemicarbazone moieties are on the opposite side of the carbon-carbon backbone, but the N(4)Hs intramolecularly hydrogen bond to the imine nitrogen for each moiety. (C) 1999 Elsevier Science B.V. All rights reserved.