trans-dichlorotetrakis-(pyrazole)gallium(III)tetrachlorogallate(III) | 141257-65-0

• 英文名称: trans-dichlorotetrakis-(pyrazole)gallium(III)tetrachlorogallate(III)
• CAS: 141257-65-0
• 化学式: C₁₂H₁₆Cl₂GaN₈*Cl₄Ga
• 分子量: 624.477
• InChiKey: MSDQUTIFSSMABB-UHFFFAOYSA-H

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  吡唑 、 氯化镓 以 乙醚 、 甲苯 为溶剂， 以55%的产率得到trans-dichlorotetrakis-(pyrazole)gallium(III)tetrachlorogallate(III)
  参考文献：
  名称：

  Synthesis and characterization of potential antitumour and antiviral gallium(III) complexes of N-heterocycles

  摘要：

  Ten water-soluble gallium(III) complexes of N-heterocycles were synthesized and characterized by elemental analysis, conductivity measurements, IR spectroscopy, H-1 NMR spectroscopy and optical activity measurements. Raman spectra were measured with two complexes and an X-ray single-crystal study performed with one complex-trans-dichlorotetrakis-(5-methylpyrazole)gallium(III)tetrachlorogallate(III). The gallium(III) complexes had the general formulae: [L4GaCl2]GaCl4 (L = ligand) (L = indazole, 1,2,3-benzotriazole, pyrazole, 5-methylpyrazole, 4-methylpyrazole), having a trans-octahedral structure (symmetry C(i)), [L4GaCl2]Cl (L = imidazole, benzimidazole), also with a trans-octahedral configuration, and LGaCl2 (L = 2-alpha-oxybenzylbenzimidazolato (HBB) and the respective enantiomers D(-)-HBB and L(+)-HBB) having a tetrahedral structure.So far, eight gallium(III) complexes have been tested in the in vitro anti-HIV test (HIV = human immunodeficiency virus) of the National Cancer Institute (NCI) in the U.S.A., and four of these were found to be moderately active: trans-dichlorotetrakis(5-methylpyrazole)gallium(III) tetrachlorogallate(III), trans-dichlorotetrakis-(4-methylpyrazole)gallium(III)tetrachlorogallate(III), dichloro-(2-alpha-oxybenzylbenzimidazolato-N,O) gallium (III) and trans-dichlorotetrakis(benzimidazole)gallium(III) chloride, the latter exhibiting the highest therapeutic index (TI) of 77. For comparison, the therapeutic index for 3'-azido-3'-deoxythymidine (AZT) ranges from TI = 1000 to 4000.

  DOI：

  10.1016/s0277-5387(00)83206-4

文献信息

• Synthesis and Structure of trans-Dichloro-tetra(pyrazole)-gallium(III) Chloride and Tetrachlorogallate(III)
  作者：Stefan Nogai、Annette Schier、Hubert Schmidbaur

  DOI：10.1515/znb-2002-0209

  日期：2002.2.1

  [GaCl₂(pyrazole)₄]⁺Cl^- and [GaCl²(pyrazole)₄]⁺GaCl₄ ^- are formed in the reaction of pyrazole and anhydrous gallium trichloride in toluene/diethyl ether. The crystal structure of the chloride salt shows cations in a trans-conufiguration which are associated with the chloride counterions through N-H- -Cl hydrogen bonds.

  [GaCl2(吡唑)4]+Cl-和[GaCl2(吡唑)4]+GaCl4 - 是吡唑和无水三氯化镓在甲苯/二乙醚中反应生成的。氯盐的晶体结构显示阳离子呈反式构象，通过 N-H- -Cl 氢键与氯反离子相连。