| 618107-47-4

• CAS: 618107-47-4
• 化学式: AuCl₄*C₁₄H₂₇AuClN₆O₄
• 分子量: 914.604
• InChiKey: HWAAFSHJVRIZAR-UHFFFAOYSA-H

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：

  盐酸 、 以 甲醇 、 水 为溶剂， 生成
  参考文献：
  名称：

  Gold(III) complexes of amides of EDTA (L, L1) and PDTA (L2, L3) as model systems for gold(III)–peptide/protein interactions.

  摘要：

  Reaction of 1,2-diaminoethane-N,N,N',N'-tetra-(N-methylacetamide), L, with K[AuCl4] in water gave the complex [AuLCl2][AuCl4] which when recrystallised from MeOH/H2O gave the amidate-containing complex [Au(LH-1)Cl][AuCl4] the crystal structure of which shows LH-1 to be present as a tridentate ligand coordinated via its amino group nitrogens and a deprotonated amide group. The geometry around the metal ion in both cation and anion is square planar with bond lengths, Au-N (amine) 2.06(1) and 2.105(9) Angstrom, Au-N (amidate) = 2.00(2) Angstrom, Au-Cl in the cation 2.274(3) and in the anion 2.262(4)-2.278(5) Angstrom. As very few crystal structures of gold(III)-peptide complexes have so far been reported this serves as a model compound for Au(III)-peptide/protein interactions. It is also the first reported structure of a Au(III) complex with tertiary amine donor groups. Reaction of [Au(LH-1)Cl][AuCl4] with dilute HCl in methanol-water gave the complex (LH2)(2)[AuCl4](3.5)[AuCl2](0.5).2H(2)O, the crystal structure of which confirms the presence of doubly protonated L cations and tetrachlorogold(III) and dichlorogold(I) anions. The synthesis of [(AuLCl2)-Cl-1][AuCl4].2H(2)O, [(AuLCl2)-Cl-2]Cl.H2O, [(AuLCl2)-Cl-3]Cl.CH3OH where L-1 is 1,2-diaminoethane-N,N,N',N'-tetra-acetamide, L-2 is 1,2-diaminopropane-N,N,N',N'-tetra-acetamide and L-3 is 1,2-diaminopropane-N,N,N',N'-tetra-(N-methylacetamide) are also reported. (C) 2003 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(03)00054-9
• 作为产物：
  描述：

  [Au(1,2-diaminoethane-N,N,N',N'-tetra-(N-methylacetamide))Cl2][AuCl4] 以 甲醇 、 水 为溶剂， 生成
  参考文献：
  名称：

  Gold(III) complexes of amides of EDTA (L, L1) and PDTA (L2, L3) as model systems for gold(III)–peptide/protein interactions.

  摘要：

  Reaction of 1,2-diaminoethane-N,N,N',N'-tetra-(N-methylacetamide), L, with K[AuCl4] in water gave the complex [AuLCl2][AuCl4] which when recrystallised from MeOH/H2O gave the amidate-containing complex [Au(LH-1)Cl][AuCl4] the crystal structure of which shows LH-1 to be present as a tridentate ligand coordinated via its amino group nitrogens and a deprotonated amide group. The geometry around the metal ion in both cation and anion is square planar with bond lengths, Au-N (amine) 2.06(1) and 2.105(9) Angstrom, Au-N (amidate) = 2.00(2) Angstrom, Au-Cl in the cation 2.274(3) and in the anion 2.262(4)-2.278(5) Angstrom. As very few crystal structures of gold(III)-peptide complexes have so far been reported this serves as a model compound for Au(III)-peptide/protein interactions. It is also the first reported structure of a Au(III) complex with tertiary amine donor groups. Reaction of [Au(LH-1)Cl][AuCl4] with dilute HCl in methanol-water gave the complex (LH2)(2)[AuCl4](3.5)[AuCl2](0.5).2H(2)O, the crystal structure of which confirms the presence of doubly protonated L cations and tetrachlorogold(III) and dichlorogold(I) anions. The synthesis of [(AuLCl2)-Cl-1][AuCl4].2H(2)O, [(AuLCl2)-Cl-2]Cl.H2O, [(AuLCl2)-Cl-3]Cl.CH3OH where L-1 is 1,2-diaminoethane-N,N,N',N'-tetra-acetamide, L-2 is 1,2-diaminopropane-N,N,N',N'-tetra-acetamide and L-3 is 1,2-diaminopropane-N,N,N',N'-tetra-(N-methylacetamide) are also reported. (C) 2003 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(03)00054-9