1,10-bis(S-8-thiotheophylline)decane | 640274-72-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 1,10-bis(S-8-thiotheophylline)decane
• 英文别名: 8-[10-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]decylsulfanyl]-1,3-dimethyl-7H-purine-2,6-dione
• CAS: 640274-72-2
• 化学式: C₂₄H₃₄N₈O₄S₂
• 分子量: 562.717
• InChiKey: CZAQARKRFWUIBR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  38
• 可旋转键数：
  13
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  189
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  双三苯基磷二氯化钯 、 1,10-bis(S-8-thiotheophylline)decane 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 以40%的产率得到trans-[(PdCl(PPh3)2)2(1,10-bis(S-8-thiotheophylline)decane(2-))]
  参考文献：
  名称：

  New palladium complexes with bis(8-thiotheophylline)alkane derivatives

  摘要：

  Aiming at finding new models that allow us to obtain more information about the interaction between metals and purine-biomolecules, the new derivatives bis(S-8-thiotheophylline)methane (MBTTH2) (1), 1,2-bis(S-8-thiotheophylline)ethane (EBTTH2) (2), 1,3-bis(S-8-thiotheophylline)propane (PBTTH2) (3) and, 1,10-bis(S-8-thiotheophylline)decane (DBTTH2) (4) were synthesised. The evaluation of the coordinative properties of these new ligands against cis-[PdCl2(PPh3)(2)], leaded to the synthesis of the complexes trans-[PdCl(PPh3)(2)LH] (L = EBTT2- (5), PBTT2- (6)) and trans-[(PdCl(PPh3)(2))(2)L] (L = MBTT2- (7), EBTT2- (8), PBTT2- (9), DBTT2- (10)). All of the ligands and complexes were characterised by elemental analysis, IR and multinuclear (H-1, C-13{H-1}, P-31{H-1} NMR) spectroscopy. The crystal structure of the ligand 1 is also presented, confirming the proposed composition for the new purine derivatives. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(03)00234-2

文献信息

• New palladium complexes with bis(8-thiotheophylline)alkane derivatives
  作者：Antonio Romerosa、Carlos López-Magaña、Andrés E. Goeta、Sonia Mañas、Mustapha Saoud、F.B. Benabdelouahab、F. El Guemmout

  DOI：10.1016/s0020-1693(03)00234-2

  日期：2003.9

  Aiming at finding new models that allow us to obtain more information about the interaction between metals and purine-biomolecules, the new derivatives bis(S-8-thiotheophylline)methane (MBTTH2) (1), 1,2-bis(S-8-thiotheophylline)ethane (EBTTH2) (2), 1,3-bis(S-8-thiotheophylline)propane (PBTTH2) (3) and, 1,10-bis(S-8-thiotheophylline)decane (DBTTH2) (4) were synthesised. The evaluation of the coordinative properties of these new ligands against cis-[PdCl2(PPh3)(2)], leaded to the synthesis of the complexes trans-[PdCl(PPh3)(2)LH] (L = EBTT2- (5), PBTT2- (6)) and trans-[(PdCl(PPh3)(2))(2)L] (L = MBTT2- (7), EBTT2- (8), PBTT2- (9), DBTT2- (10)). All of the ligands and complexes were characterised by elemental analysis, IR and multinuclear (H-1, C-13H-1}, P-31H-1} NMR) spectroscopy. The crystal structure of the ligand 1 is also presented, confirming the proposed composition for the new purine derivatives. (C) 2003 Elsevier B.V. All rights reserved.