Ph3SnOAl(OPri)2 | 138977-01-2

• 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: Ph3SnOAl(OPri)2
• 英文别名: Ph₃SnOAl(OPrⁱ)₂
• CAS: 138977-01-2
• 化学式: C₂₄H₂₉AlO₃Sn
• 分子量: 511.184
• InChiKey: SRSZUBKSAKPPOM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.51
• 重原子数：
  29.0
• 可旋转键数：
  9.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  27.69
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  Ph3SnOAl(OPri)2 、 以 苯 为溶剂， 反应 6.0h， 生成
  参考文献：
  名称：

  Organometallic assemblies: π-electron delocalization, μ-bridging spacers, flexibility, lipophilic nature, bio-accessibility, bioavailability, intracellular trafficking pathways and antimicrobial assimilation

  摘要：

  Supramolecular architectures of triphenylSn(IV)-A(lII)-mu-oxoisopropoxide (organometallic assemblies i.e. Ph3SnOAl(OPri)L and Ph3SnOAl(L)(2)) were yielded by the reaction of triphenyltin acetate, aluminiumisopropoxide and different ligands (L-1 to L-5) having different backbones (NOONO and OONO) in presence of xylene. Spectral analysis (IR, H-1 NMR, C-13 NMR, Al-27 NMR, Sn-119 NMR and MS) and molecular modeling revealed coordination modes between metals and donor atoms entirely within supramolecular architectures. Ph3SnOAl(OPri)L and Ph3SnOAl(L)(2) showed tetra- and penta-coordination of metals center with distorted tetrahedral and distorted trigonal-bipyramidal geometries for Sn(IV) and Al(III) respectively. Organometallic assemblies went through self-organization of atoms through m-bridging, hydrophobic, hydrophilic and electrostatic effects. Antimicrobial assimilation was dependent on good adsorptive ability, generated by the interaction between microbial and organometallic assemblies. Finally, organometallic assemblies were screened extensively in-vitro against a number of pathogens. The toxicity of metal ion(s) was reduced or eliminated by changing donor backbone of ligands. Computational models and molecular mechanics were employed to reveal architectural features. The donating nature of substituent of ligands affected antimicrobial assimilation. Because of this, desired modifications were done through computational calculations to achieve perfect organometallic assemblies with HOMO for ligands(L-1 to L-5). (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2014.11.001
• 作为产物：
  描述：

  三苯基乙酸锡 、 aluminum isopropoxide 以 5,5-dimethyl-1,3-cyclohexadiene 为溶剂， 反应 6.0h， 以98%的产率得到Ph3SnOAl(OPri)2
  参考文献：
  名称：

  Organometallic assemblies: π-electron delocalization, μ-bridging spacers, flexibility, lipophilic nature, bio-accessibility, bioavailability, intracellular trafficking pathways and antimicrobial assimilation

  摘要：

  Supramolecular architectures of triphenylSn(IV)-A(lII)-mu-oxoisopropoxide (organometallic assemblies i.e. Ph3SnOAl(OPri)L and Ph3SnOAl(L)(2)) were yielded by the reaction of triphenyltin acetate, aluminiumisopropoxide and different ligands (L-1 to L-5) having different backbones (NOONO and OONO) in presence of xylene. Spectral analysis (IR, H-1 NMR, C-13 NMR, Al-27 NMR, Sn-119 NMR and MS) and molecular modeling revealed coordination modes between metals and donor atoms entirely within supramolecular architectures. Ph3SnOAl(OPri)L and Ph3SnOAl(L)(2) showed tetra- and penta-coordination of metals center with distorted tetrahedral and distorted trigonal-bipyramidal geometries for Sn(IV) and Al(III) respectively. Organometallic assemblies went through self-organization of atoms through m-bridging, hydrophobic, hydrophilic and electrostatic effects. Antimicrobial assimilation was dependent on good adsorptive ability, generated by the interaction between microbial and organometallic assemblies. Finally, organometallic assemblies were screened extensively in-vitro against a number of pathogens. The toxicity of metal ion(s) was reduced or eliminated by changing donor backbone of ligands. Computational models and molecular mechanics were employed to reveal architectural features. The donating nature of substituent of ligands affected antimicrobial assimilation. Because of this, desired modifications were done through computational calculations to achieve perfect organometallic assemblies with HOMO for ligands(L-1 to L-5). (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2014.11.001

文献信息

• Some new organotin(IV), aluminium(III)-μ-oxoisopropoxides and their benzoylacetone derivatives
  作者：Pramesh N. Kapoor、Ajay K. Bhagi、Ramesh N. Kapoor、Harish K. Sharma

  DOI：10.1016/0022-328x(91)86459-4

  日期：1991.2

  The first organotin(IV), alummium(III)-mu-oxoisopropoxides of the type [R3SnOAl(O(i)Pr)2] (R = Me or Ph) have been made by heating of trimethyl- or triphenyl-tin acetate with aluminium isopropoxide. The reactions of these mu-oxoisopropoxides with benzoylacetone in 1:1 and 1:2 molar ratios yielded the compounds of the type [R3SnOAl(O(i)Pr)(bzac)] and [R3SnOAl(bzac)2] (where R = Me or Ph and bzac = deprotonated benzoylacetone), respectively.