N-(3,4-dimethoxy)benzylidenethiobenzahydrazone | 42344-81-0

• 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: N-(3,4-dimethoxy)benzylidenethiobenzahydrazone
• 英文别名: N-[(3,4-dimethoxyphenyl)methylideneamino]benzenecarbothioamide
• CAS: 42344-81-0
• 化学式: C₁₆H₁₆N₂O₂S
• 分子量: 300.381
• InChiKey: MHZVBMNKPRJWJS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.0
• 重原子数：
  21.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  42.85
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  N-(3,4-dimethoxy)benzylidenethiobenzahydrazone 、 三乙基镓 以 环己烷 、 苯 为溶剂， 以84.7%的产率得到diethyl[N-(3,4-dimethoxy)benzylidenethiobenzahydrazonato]gallium
  参考文献：
  名称：

  Synthesis and characterization of gallium complexes bearing N-arylmethylenethiobenzahydrazone ligands; crystal structure of diethyl[N-(4-N,N-dimethylamino)benzylidene thiobenzahydrazonato]gallium

  摘要：

  Five diethylgallium complexes of type Et2GaL [(L = N-(4-methoxy) benzylidenethiobenzahydrazonato (1), N-(3,4-dimethoxy)benzylidenethio benzahydrazonato (2), N-(4-N,N-dimethylamino)benzylidenethiobenza hydrazonato (3), N-(2-naphthyl)methylenethiobenzahydrazonato (4), N-(9-anthryl)methylenethiobenzahydrazonato (5)] have been synthesized by the reaction of triethylgallium with appropriate N-arylmethylene thiobenzahydrazones. The compounds obtained have been characterized by elemental analysis, H-1 NMR, IR and mass spectroscopies, respectively. The solid structure of 3 has been determined by X-ray single crystal analysis, in which Ga atom is four coordinate. The photoluminescent property of complex I was studied. The maximum emission wavelength is 475 nm upon radiation by UV light. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2006.08.041