5-methyl-2-hydroxyacetophenone 4-N,N-dimethyl thiosemicarbazone | 96860-32-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 5-methyl-2-hydroxyacetophenone 4-N,N-dimethyl thiosemicarbazone
• 英文别名: 2'-hydroxy-5'-methylacetophenone-4,4-dimethylthiosemicarbazone；3-[1-(2-Hydroxy-5-methylphenyl)ethylideneamino]-1,1-dimethylthiourea
• CAS: 96860-32-1
• 化学式: C₁₂H₁₇N₃OS
• 分子量: 251.352
• InChiKey: TZBSAYHRVVEKMY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  80
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  铜 、 5-methyl-2-hydroxyacetophenone 4-N,N-dimethyl thiosemicarbazone 以 乙腈 为溶剂， 生成 [bis(5-methyl-2-oxyacetophenone 4-N,N'-dimethyl thiosemicarbazone)dicopper(II)]
  参考文献：
  名称：

  Copper(II) and nickel(II) complexes of 5-methyl-2-hydroxyacetophenone N(4)-substituted thiosemicarbazones

  摘要：

  Mononuclear and binuclear copper(II) and nickel(II) complexes with 5-methyl-2-hydroxyacetophenone N(4)-substituted thiosemicarbazones have been prepared and characterized. IR and H-1 NMR spectra of the N(4)-substituted thiosemicarbazones and their metal complexes, as well as ESR spectra of the mononuclear copper(II) complexes, have been obtained. The crystal structures of 5-methyl-2-hydroxyacetophenone N(4)-dimethylthiosemicarbazone and a representative binuclear copper(II) complex have been acquired, and their structural features are compared to related thiosemicarbazones and previously reported binuclear copper(II) thiosemicarbazone complexes. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(03)00405-4

文献信息

• Lu, Zheng; White, Corbet; Rheingold, Arnold L., Angewandte Chemie, 1993, vol. 105, # 1, p. 121 - 123
  作者：Lu, Zheng、White, Corbet、Rheingold, Arnold L.、Crabtree, Robert H.

  DOI：——

  日期：——
• Lu, Zheng; White, Corbet; Rheingold, Arnold L., Inorganic Chemistry, 1993, vol. 32, # 19, p. 3991 - 3994
  作者：Lu, Zheng、White, Corbet、Rheingold, Arnold L.、Crabtree, Robert H.

  DOI：——

  日期：——