biacetylmonoxime-hydrazine-S-benzyldithiocarbazate | 131356-08-6

• 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: biacetylmonoxime-hydrazine-S-benzyldithiocarbazate
• 英文别名: diacetylmonoxime S-benzyldithiocarbazonate
• CAS: 131356-08-6
• 化学式: C₁₂H₁₅N₃OS₂
• 分子量: 281.403
• InChiKey: BYKVYTDEKQQOHJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.02
• 重原子数：
  18.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  56.98
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  biacetylmonoxime-hydrazine-S-benzyldithiocarbazate 在 KOH 作用下， 以 乙醇 为溶剂， 生成 [Ni(diacetylmonoxime S-benzyldithiocarbazonate(-2H))(pyrazole)]
  参考文献：
  名称：

  Metal complexes derived from hydrazoneoxime ligands: IV. Molecular and supramolecular structures of some nickel(II) complexes derived from diacetylmonoxime S-benzyldithiocarbazonate

  摘要：

  Four new nickel(II) complexes, [{Ni(L)}(2)], [NiL center dot HPyr], [NiL center dot HIm] and [Ni(HL)(2)]center dot H2O, derived from diacetylmonoxime-S-benzyldithiocarbazonate (H2L) have been synthesized and characterized by elemental analyses, field desorption and electrospray ionization mass spectra, UV-Vis, infrared absorption spectra, as well as H-1 NMR spectra. X-ray molecular structures showed that the Ni(II) in both [NiL center dot HPyr] and [NiL center dot HIm] are in a distorted square planar environment and is coordinated to the dianionic NNS tridentate hydrazoneoxime ligand via deprotonated oximate nitrogen, hydrazone imine nitrogen, and thiolate sulphur. The fourth coordination sites are occupied, respectively, by the pyrazole and imidazole nitrogens. The oximate O1 of [NiL center dot HPyr] is involved in intramolecular hydrogen bond with the pyrazole NH proton as well as intermolecular hydrogen bond pyrazole C6H proton, forming a helical chain propagating along the b-axis. The structure is stabilized by a set of pi center dot center dot center dot pi and CH center dot center dot center dot pi interactions. The molecular units in [NiL center dot HIm] are linked together by hydrogen bond formation between the oximate oxygen and imidazole NH proton, giving rise to an infinite zigzag chain extended along the a-axis. The chains are interconnected by pi center dot center dot center dot pi and CH center dot center dot center dot O interactions. In [Ni(HL)(2)]center dot H2O, the Ni(II) is in a distorted octahedral environment. The two mononegative hydrazoneoxime ligands are coordinated in the meridional configuration where the two thiol sulphur atoms and the two oxime nitrogen atoms are cis to each other, while the imine nitrogen atoms are trans. The oxime proton O2H is involved in a reciprocal bifurcated hydrogen bond formation with both N2 and S3 of the adjacent molecule giving rise to hydrogen bonded dinner. This dimeric structure is further stabilized by a pair of reciprocal CH center dot center dot center dot O interactions. A one dimensional chain of alternating dimeric unit and water molecule propagating along the c-axis is formed via hydrogen bond formation between the oxime O1 oxygen and the bridged water molecule proton. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2008.07.009
• 作为产物：
  描述：

  S-benzyldithiocarbazate 、 二乙酰一肟 在 盐酸 作用下， 以 乙醇 、 水 为溶剂， 以74 %的产率得到biacetylmonoxime-hydrazine-S-benzyldithiocarbazate
  参考文献：
  名称：

  钌 (II)-二硫代氨基甲酸酯作为抗癌剂：合成、溶液行为和线粒体靶向凋亡细胞死亡

  摘要：

  记录了三种新的钌 (II)-二硫代氨基甲酸酯复合物的合成、表征、钌辅助肟到亚胺的转化、溶液/水相稳定性、疏水性、DNA 相互作用和细胞毒性研究（细胞定位和细胞凋亡）。该报告通过在人类癌细胞中诱导线粒体靶向细胞死亡模式，揭示了 Ru(II) 配合物作为有效抗癌剂的详细研究。

  DOI：

  10.1002/chem.202202694

文献信息

• Abu El-Reash, Gaber M.; Taha, Fatma I.; Shallaby, A. M., Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry, 1990, vol. 20, p. 887 - 900
  作者：Abu El-Reash, Gaber M.、Taha, Fatma I.、Shallaby, A. M.、El-Gamal, Ola A.

  DOI：——

  日期：——