1,2-diaminopropane-N,N,N',N'-tetra-acetamide | 71683-30-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1,2-diaminopropane-N,N,N',N'-tetra-acetamide
• 英文别名: PDTA tetraamide；2-[(2-Amino-2-oxoethyl)-[2-[bis(2-amino-2-oxoethyl)amino]propyl]amino]acetamide
• CAS: 71683-30-2
• 化学式: C₁₁H₂₂N₆O₄
• 分子量: 302.333
• InChiKey: PORPOZMEHLZDNB-UHFFFAOYSA-N

物化性质

• 沸点：
  683.2±55.0 °C(Predicted)
• 密度：
  1.324±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -3.5
• 重原子数：
  21
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  179
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  potassium tetrachloroaurate(III) 、 1,2-diaminopropane-N,N,N',N'-tetra-acetamide 以 甲醇 、 水 为溶剂， 以73%的产率得到[Au(1,2-diaminopropane-N,N,N',N'-tetra-acetamide)Cl2]Cl*H2O
  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

文献信息

• The First Crystal Structures of Mercury(II) Complexes of Tetra-amides (L1 and L2) and Tetramethylamides (L3 and L4) of EDTA and PDTA. Formation of Distorted Octahedral and Distorted Capped Octahedral Mercury(II) Complexes and of a Trinuclear Complex containing HgCl2-bridged [Hg(L3)Cl]+ Moieties
  作者：Krystyna Krot、Antonio L. Llamas-Saiz、Nagarajan Vembu、Kevin B. Nolan

  DOI：10.1002/zaac.200700269

  日期：2007.9

  The first crystal structures of HgII complexes of EDTA and PDTA tetra-amides are reported. Reaction of EDTA and PDTA tetra-amides (L1 and L2) and tetramethylamides (L3 and L4) with HgCl2 in water/ethanol/acetone produced complexes of formula [Hg(L1)Cl][HgCl4]0.5·0.5H2O, (1), [Hg(L2)Cl]2[HgCl4]·6H2O, (2), [Hg3(L3)2Cl4][HgCl3]2·2H2O, (3), [Hg(L3)Cl]2(PF6)2·5H2O, (4), and [Hg(L4)Cl]2[HgCl3]2·1.5H2O, (5)

  报告了 EDTA 和 PDTA 四酰胺的 HgII 复合物的第一个晶体结构。EDTA 和 PDTA 四酰胺（L1 和 L2）和四甲基酰胺（L3 和 L4）与 HgCL2 在水/乙醇/丙酮中的反应产生式 [Hg(L1)Cl][HgCl4]0.5·0.5H2O，(1) 的复合物, [Hg(L2)Cl]2[HgCl4]·6H2O, (2), [Hg3(L3)2Cl4][HgCl3]2·2H2O, (3), [Hg(L3)Cl]2(PF6)2· 5H2O, (4), 和 [Hg(L4)Cl]2[HgCl3]2·1.5H2O, (5)，其中四酰胺配体的齿数在配合物 1 - 4 中为 6，而在配合物 5 中为 5，给出扭曲的封端八面体 7 坐标配合物和扭曲八面体 6 坐标配合物，分别。复合物 3 包含由 HgCL2 桥接两个 [HgL3(Cl)]+ 部分产生的三核阳离子。复合物的 X 射线晶体结构揭示了由