AuCl3(1,9-dimethylguanine) | 217818-03-6

• 英文名称: AuCl3(1,9-dimethylguanine)
• CAS: 217818-03-6
• 化学式: C₇H₉AuCl₃N₅O
• 分子量: 482.507
• InChiKey: BMHWBYUUUSFYBS-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  AuCl3(1,9-dimethylguanine) 、 二甲基亚砜 以 二甲基亚砜 为溶剂， 生成 [Au(1,9-dimethylguanine)(DMSO)3]Cl3 * 99 DMSO
  参考文献：
  名称：

  Interactions between [AuX4]− (X = Cl, CN) and cytosine and guanine model nucleobases: salt formation with (hemi-) protonated bases, coordination, and oxidative degradation of guanine

  摘要：

  Complexes of composition AuCl3L with L= 1,9-dimethylguanine (1,9-DimeG) (1), 2-amino-6-methoxy-9-methylpurine ((OMe)-Me-6-9-MeG) (2), 9-methylguanine (9-MeGH) (3), and 9-ethylguanine (9-EtGH) (4) were prepared from Na[AuCl4] or H[AuCl4] and L in water at pH 3.2 +/- 0.5. The X-ray crystal structures of 1 and 2 were determined. In both complexes, Au(III) binding is via N(7) of the purine ring. The coordination sphere of Au(III) is completed by three Cl ligands in a square plane and a weaker intermolecular contact with an adjacent molecule (Au ... Cl, 3.59(5) Angstrom (1) and 3.48(1) Angstrom (2)), thereby making each Au atom approximately square-pyramidal. In addition, three salts containing the fully or hemiprotonated model nucleobases 7,9-dimethylguanine (7,9-DimeGH), 9-MeGH and 1-methylcytosine (1-MeC) were X-ray structurally characterized: [7,9-DimeGH] [AuCl4] (5), [(9-MeGH(2)) . (9-MeGH) ] [Au(CN)(4)] (6), and [ ( 1-MeCH) . (1-MeC) ] [Au(CN)(4)] . 2H(2)O (7). Although poorly soluble in water, compounds 1-4 redissolve in a slow process that takes weeks to months with destruction of the purine skeleton and formation of guanidinium and parabanic acid derivatives as well as other products, depending upon the conditions applied. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(98)00099-1
• 作为产物：
  描述：

  2-氨基-1,9-二甲基嘌呤-6-酮 、 chloroauric acid 在 HCl 、 NaOH 作用下， 以 水 为溶剂， 以90%的产率得到AuCl3(1,9-dimethylguanine)
  参考文献：
  名称：

  Interactions between [AuX4]− (X = Cl, CN) and cytosine and guanine model nucleobases: salt formation with (hemi-) protonated bases, coordination, and oxidative degradation of guanine

  摘要：

  Complexes of composition AuCl3L with L= 1,9-dimethylguanine (1,9-DimeG) (1), 2-amino-6-methoxy-9-methylpurine ((OMe)-Me-6-9-MeG) (2), 9-methylguanine (9-MeGH) (3), and 9-ethylguanine (9-EtGH) (4) were prepared from Na[AuCl4] or H[AuCl4] and L in water at pH 3.2 +/- 0.5. The X-ray crystal structures of 1 and 2 were determined. In both complexes, Au(III) binding is via N(7) of the purine ring. The coordination sphere of Au(III) is completed by three Cl ligands in a square plane and a weaker intermolecular contact with an adjacent molecule (Au ... Cl, 3.59(5) Angstrom (1) and 3.48(1) Angstrom (2)), thereby making each Au atom approximately square-pyramidal. In addition, three salts containing the fully or hemiprotonated model nucleobases 7,9-dimethylguanine (7,9-DimeGH), 9-MeGH and 1-methylcytosine (1-MeC) were X-ray structurally characterized: [7,9-DimeGH] [AuCl4] (5), [(9-MeGH(2)) . (9-MeGH) ] [Au(CN)(4)] (6), and [ ( 1-MeCH) . (1-MeC) ] [Au(CN)(4)] . 2H(2)O (7). Although poorly soluble in water, compounds 1-4 redissolve in a slow process that takes weeks to months with destruction of the purine skeleton and formation of guanidinium and parabanic acid derivatives as well as other products, depending upon the conditions applied. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(98)00099-1