di-n-butyltin bis(heptafluorobutyrate) | 90499-38-0

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 卤代烷
• 英文名称: di-n-butyltin bis(heptafluorobutyrate)
• 英文别名: Dibutylbis[(2,2,3,3,4,4,4-heptafluorobutanoyl)oxy]stannane；[dibutyl(2,2,3,3,4,4,4-heptafluorobutanoyloxy)stannyl] 2,2,3,3,4,4,4-heptafluorobutanoate
• CAS: 90499-38-0
• 化学式: C₁₆H₁₈F₁₄O₄Sn
• 分子量: 659.004
• InChiKey: TXNFKCTYDDKVDE-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  6.78
• 重原子数：
  35
• 可旋转键数：
  14
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  18

反应信息

• 作为反应物：
  描述：

  di-n-butyltin bis(heptafluorobutyrate) 、 水 生成 七氟丁酸 、 tetra-n-butylbis(heptafluorobutyrato) distannoxane
  参考文献：
  名称：

  Dibutyltin perfluoroalkanecarboxylates: synthesis, NMR characterization and in vitro antitumour activity

  摘要：

  Three dibutyltin perfluoroalkanecarboxylates have been synthesized, characterized by H-1-, C-13-, F-19- and Sn-117-NMR, Mossbauer, IR and mass spectroscopy. The structure of tetra-n-butylbis(trifluoroacetato)distannoxane has been elucidated by X-ray crystallography. The in vitro antitumour activity of the three compounds against seven human tumour cell lines was found to be as high as or even higher than that for reference compounds used clinically. (C) 2000 Published by Elsevier Science S.A.

  DOI：

  10.1016/s0022-328x(00)00367-3

文献信息

• Dibutyltin perfluoroalkanecarboxylates: synthesis, NMR characterization and in vitro antitumour activity
  作者：Martine Kemmer、Hassan Dalil、Monique Biesemans、José C Martins、Bernard Mahieu、Ernst Horn、Dick de Vos、Edward R.T Tiekink、Rudolph Willem、Marcel Gielen

  DOI：10.1016/s0022-328x(00)00367-3

  日期：2000.8

  Three dibutyltin perfluoroalkanecarboxylates have been synthesized, characterized by H-1-, C-13-, F-19- and Sn-117-NMR, Mossbauer, IR and mass spectroscopy. The structure of tetra-n-butylbis(trifluoroacetato)distannoxane has been elucidated by X-ray crystallography. The in vitro antitumour activity of the three compounds against seven human tumour cell lines was found to be as high as or even higher than that for reference compounds used clinically. (C) 2000 Published by Elsevier Science S.A.