trimethyltin(IV) 3-(2-fluorophenyl)-2-methylacrylate | 1442094-40-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: trimethyltin(IV) 3-(2-fluorophenyl)-2-methylacrylate
• 英文别名: (E)-3-(2-fluorophenyl)-2-methylprop-2-enoate;trimethylstannanylium
• CAS: 1442094-40-7
• 化学式: C₃H₉Sn*C₁₀H₈FO₂
• 分子量: 342.985
• InChiKey: XUZHHMXFEFIOTH-MNPOOLNOSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.35
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  40.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-(2-fluorophenyl)-2-methylacrylic acid 在 碳酸氢钠 作用下， 以 甲醇 、 水 、 甲苯 为溶剂， 反应 12.0h， 生成 trimethyltin(IV) 3-(2-fluorophenyl)-2-methylacrylate
  参考文献：
  名称：

  Catalytic, biological and DNA binding studies of organotin(IV) carboxylates of 3-(2-fluorophenyl)-2-methylacrylic acid: Synthesis, spectroscopic characterization and X-ray structure analysis

  摘要：

  A new series of organotin(IV) carboxylates [Me2SnL2] (1), [Bu2SnL2] (2), [Oct(2)SnL(2)] (3), [Me3SnL] (4), [Bu3SnL] (5) and [Ph3SnL] (6), where L = 3-(2-fluorophenyl)-2-methylacrylate have been synthesized and characterized by FT-IR, CHNS and NMR (H-1, C-13). The crystal structures of complexes (1) and (4) were also analyzed by single crystal X-ray analysis. The complex (1) adopted distorted octahedral geometry while complex (4) exhibited distorted trigonal bipyramidal geometry. The catalytic activity of the complexes was assessed in the production of biodiesel. Biodiesel is the monoalkyl ester of long chain fatty acids derived from the renewable feed stock, such as vegetable oil and is produced by a transesterification of vegetable oil with methanol. The results revealed that triorganotin(IV) complexes showed better catalytic activity than their diorganotin(IV) analogues. The complexes were also screened for their biological activities such as antibacterial, antifungal and cytotoxicity. The complexes 4-6 showed significant activity than the complexes 1-3. DNA interactions studies of ligand and complexes were investigated by UV-Vis absorption spectroscopy. The results showed that both ligand and complexes interact with DNA via intercalation as well as minor groove binding. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2013.04.026

文献信息

• Catalytic, biological and DNA binding studies of organotin(IV) carboxylates of 3-(2-fluorophenyl)-2-methylacrylic acid: Synthesis, spectroscopic characterization and X-ray structure analysis
  作者：Muhammad Tariq、Saqib Ali、Naseer Ali Shah、Niaz Muhammad、Muhammad Nawaz Tahir、Nasir Khalid、Muhammad Rashid Khan

  DOI：10.1016/j.poly.2013.04.026

  日期：2013.7

  A new series of organotin(IV) carboxylates [Me2SnL2] (1), [Bu2SnL2] (2), [Oct(2)SnL(2)] (3), [Me3SnL] (4), [Bu3SnL] (5) and [Ph3SnL] (6), where L = 3-(2-fluorophenyl)-2-methylacrylate have been synthesized and characterized by FT-IR, CHNS and NMR (H-1, C-13). The crystal structures of complexes (1) and (4) were also analyzed by single crystal X-ray analysis. The complex (1) adopted distorted octahedral geometry while complex (4) exhibited distorted trigonal bipyramidal geometry. The catalytic activity of the complexes was assessed in the production of biodiesel. Biodiesel is the monoalkyl ester of long chain fatty acids derived from the renewable feed stock, such as vegetable oil and is produced by a transesterification of vegetable oil with methanol. The results revealed that triorganotin(IV) complexes showed better catalytic activity than their diorganotin(IV) analogues. The complexes were also screened for their biological activities such as antibacterial, antifungal and cytotoxicity. The complexes 4-6 showed significant activity than the complexes 1-3. DNA interactions studies of ligand and complexes were investigated by UV-Vis absorption spectroscopy. The results showed that both ligand and complexes interact with DNA via intercalation as well as minor groove binding. (C) 2013 Elsevier Ltd. All rights reserved.