dibutyltin(Acac)(4-methyl-1-piperidinecarbodithioic acid(-H)) | 1245177-87-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: dibutyltin(Acac)(4-methyl-1-piperidinecarbodithioic acid(-H))
• 英文别名: Bu2Sn(Acac)(4-MePCDT)
• CAS: 1245177-87-0
• 化学式: C₂₀H₃₇NO₂S₂Sn
• 分子量: 506.361
• InChiKey: XXSOWWQHGOQKLZ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：

  4-methyl-1-piperidine dithiocarbamic acid 、 dibutyltin(Acac)2 以 氯仿 为溶剂， 以90%的产率得到dibutyltin(Acac)(4-methyl-1-piperidinecarbodithioic acid(-H))
  参考文献：
  名称：

  Synthesis, spectroscopy, semiempirical, phytotoxicity, antibacterial, antifungal, and cytotoxicity of diorganotin(IV) complex derived from Bu2Sn(Acac)2 and 4-methyl-1-piperidinecarbodithioic acid

  摘要：

  New diorganotin(IV) derivative of 4-methyl-1-piperidinecarbodithioic acid (4-MePCDTA) have been synthesized by the reaction of dibutyltin(Acac)(2) and ligand acid in a 1: 1 molar ratio in anhydrous chloroform at room temperature. The newly synthesized complex has been characterized by elemental, IR, and multinuclear NMR (H-1 and C-13). The diorganotin(IV) derivative is assessed to adopt distorted octahedral geometry in the solid state, while tetrahedral geometry is exhibited in a solution state. The modeled structure of the reported complex shows severely distorted octahedral geometry around tin. The axial tin carbon bond lengths are 2.15 . The Sn-O bond lengths for coordinated Acac in the equatorial plane are 2.37 and 2.23 , respectively. The complex was also tested for antimicrobial activity against different bacterial and fungal strains, artemia salina cytotoxicity, and plant phytotoxicity. The screening results show that the complex exhibits high antibacterial, antifungal, and artemia salina cytotoxicity and have a potential to be used as drug. Low phytotoxic activity shows that the reported compound can be used as agrochemical. The structure-activity relationship demonstrates that the compound having four-coordinated geometry in the solution state is more toxic.

  DOI：

  10.1134/s1070328410040123