Ph3Sn(6-nitropiperonylate) | 204198-71-0

• 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: Ph3Sn(6-nitropiperonylate)
• 英文别名: triphenylstannyl 6-nitro-1,3-benzodioxole-5-carboxylate
• CAS: 204198-71-0
• 化学式: C₈H₄NO₆*C₁₈H₁₅Sn
• 分子量: 560.15
• InChiKey: QMSRRCCAYKJNFX-UHFFFAOYSA-M

物化性质

• 沸点：
  627.7±65.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.89
• 重原子数：
  34
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  104
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  6-硝基-1,3-苯并二氧代-5-羧酸 、 三苯基氢氧化锡 以 甲苯 为溶剂， 以83%的产率得到Ph3Sn(6-nitropiperonylate)
  参考文献：
  名称：

  In vitro biological studies and structural elucidation of organotin(IV) derivatives of 6-nitropiperonylic acid: Crystal structure of {[(CH2O2C6H2(o-NO2)COO)SnBu2]2O}2

  摘要：

  Six organotin(IV) compounds with general formulae R3SnL, R = Me (2), Ph (6), R2SnL2, R = Me (1), Et (3), n-Oct (5), [((R2SnL)(2)O)(2)], R = Bu (4). L = 6-nitropiperonylate, have been prepared. The newly synthesized compounds have been characterized by elemental analysis, FT-IR and multinuclear NMR (H-1, C-13 and Sn-119). The structure of 4 has been determined by single crystal X-ray crystallography which is triclinic with the space group P (1) over bar The crystal Structure contains centrosymmetric dimer distannoxane with planar central four-membered Sn2O2 core. The 6-nitropiperonylate ligand shows different modes of coordination with Sn, as a result the central Sn2O2 core is fused with two four-membered (Sn(1)-O(1)-Sn(2)-O(13)) and two six-membered (Sn(1)-O(13)-Sn(2)-O(8)-C(9)-O(7)) rings. The endocyclic Sn(2) is six coordinated in a skew trapezoidal bipyramidal environment while exocyclic Sn(1) is five coordinated with distorted trigonal bipyramidal geometry. The ligand acid and synthesized organotin compounds were also screened for antibacterial, antifungal, brine-shrimp lethality and potato disc antitumor activities. Results of bioassay demonstrate that organotin derivatives are in general more active than the ligand acid. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2009.07.039

文献信息

• In vitro biological studies and structural elucidation of organotin(IV) derivatives of 6-nitropiperonylic acid: Crystal structure of {[(CH2O2C6H2(o-NO2)COO)SnBu2]2O}2
  作者：Muhammad Hanif、Mukhtiar Hussain、Saqib Ali、Moazzam H. Bhatti、Muhammad Sheeraz Ahmed、Bushra Mirza、Helen Stoeckli-Evans

  DOI：10.1016/j.poly.2009.07.039

  日期：2010.1

  Six organotin(IV) compounds with general formulae R3SnL, R = Me (2), Ph (6), R2SnL2, R = Me (1), Et (3), n-Oct (5), [((R2SnL)(2)O)(2)], R = Bu (4). L = 6-nitropiperonylate, have been prepared. The newly synthesized compounds have been characterized by elemental analysis, FT-IR and multinuclear NMR (H-1, C-13 and Sn-119). The structure of 4 has been determined by single crystal X-ray crystallography which is triclinic with the space group P (1) over bar The crystal Structure contains centrosymmetric dimer distannoxane with planar central four-membered Sn2O2 core. The 6-nitropiperonylate ligand shows different modes of coordination with Sn, as a result the central Sn2O2 core is fused with two four-membered (Sn(1)-O(1)-Sn(2)-O(13)) and two six-membered (Sn(1)-O(13)-Sn(2)-O(8)-C(9)-O(7)) rings. The endocyclic Sn(2) is six coordinated in a skew trapezoidal bipyramidal environment while exocyclic Sn(1) is five coordinated with distorted trigonal bipyramidal geometry. The ligand acid and synthesized organotin compounds were also screened for antibacterial, antifungal, brine-shrimp lethality and potato disc antitumor activities. Results of bioassay demonstrate that organotin derivatives are in general more active than the ligand acid. (C) 2009 Elsevier Ltd. All rights reserved.