iodo(bis((tetramethyl)guanidino)propane)copper(I) | 316148-04-6

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: iodo(bis((tetramethyl)guanidino)propane)copper(I)
• 英文别名: [CuI(btmgp)]；[CuI(1,3-bis(N,N,N',N'-tetramethylguanidino)propane)]；2-[3-[bis(dimethylamino)methylideneamino]propyl]-1,1,3,3-tetramethylguanidine;copper(1+);iodide
• CAS: 316148-04-6
• 化学式: C₁₃H₃₀CuIN₆
• 分子量: 460.872
• InChiKey: MGZSCURVDNSJDU-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.66
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  37.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  氧气-18O2 、 iodo(bis((tetramethyl)guanidino)propane)copper(I) 生成
  参考文献：
  名称：

  低温恒温器，用于操作性氧化生物无机模型配合物的低温共振拉曼测量

  摘要：

  摘要拉曼光谱法是阐明生物无机机制的有用工具。为了研究操作性含氧生物无机样品中的电荷转移过程，我们提出了一种用于低温液体样品的新型低温恒温器。我们在Suprasil玻璃比色杯中达到的温度低于-80°C，这是形成含氧化合物和样品长期稳定性的先决条件。在操作条件下，我们证明了对双（μ-氧代）dicopper（III）配合物的共振拉曼光谱和同位素取代测量。我们的设备的未来应用被设想为瞬态拉曼光谱，稳态和时间分辨荧光以及生物无机或其他电荷转移复合物的瞬态吸收光谱。

  DOI：

  10.1016/j.ica.2017.07.010
• 作为产物：
  描述：

  copper(l) iodide 、 1,3-bis(N,N,N',N'-tetramethylguanidino)propane 以 四氢呋喃 为溶剂， 以90%的产率得到iodo(bis((tetramethyl)guanidino)propane)copper(I)
  参考文献：
  名称：

  1,3-Bis(N,N,N′,N′-tetramethylguanidino)propane: synthesis, characterization and bonding properties of the first bidentate, peralkylated guanidine ligand †

  摘要：

  通过制备三种具有代表性的配位化合物，合成了第一种双齿过烷基化胍基配体并研究了其络合化学性质。新型螯合配体 1,3-双（N,N,Nâ²,Nâ²-四甲基胍基）丙烷（btmgp, 1）是通过 N,N,Nâ²,Nâ²-四甲基胍 (TMG) 与 1,3-二溴丙烷反应并随后用乙醇钠对生成的胍盐进行去质子化而合成的。双官能 N-载体化合物与碘化铜（I）、氯化铜（II）和碘化铁（II）以 1¶1 的摩尔比进行处理，得到相应的电中性配合物 [CuI(btmgp)] 2、[CuCl2(btmgp) ] 3 和 [FeI2(btmgp)] 4。1 的二盐酸盐（1b）和复合物 2â4 的结构已通过 X 射线晶体学确定。分子结构（2â4）的比较表明，在每种情况下，btmgp 都是一种双齿配体，不仅能够稳定三方平面（2），还能稳定（扭曲的）方平面（3）和四面体配位环境（4）。

  DOI：

  10.1039/b002554m

文献信息

• Metal‐Controlled Stereoselectivity in Complex Formation: Assembly of Tetranuclear Copper( <scp>I</scp> ) Complexes with Four Stereogenic Nitrogen Donor Functions in all‐( <i>R</i> ) and all‐( <i>S</i> ) Configurations
  作者：Jörg Schneider、Martin Köckerling、Rodion Kopitzky、Gerald Henkel

  DOI：10.1002/ejic.200200563

  日期：2003.5

  of the copper atom, the nitrogen donor atoms within the [Cu(NR2S2)]− metallo ligands are restricted to identical absolute configurations. The combination of two [Cu(NR2S2)]− metallo ligands with two further CuI ions to give the tetranuclear complexes 1 or 2 via S−Cu−S bridges underlies stereochemical control, resulting in optically active systems with (R,R,R,R) and (S,S,S,S) configurations. Consequently

  N,N'-二烷基-3,7-二氮杂-1,9-二硫醇 (NR2S2) 配体 (R = Me, Et) 与一价铜反应形成手性配合物 [Cu4(NMe2S2)2] (1) 和 [Cu4(NEt2S2)2] (2) 通过 X 射线衍射和光谱技术表征。它们在两个线性 S−Cu−S} 片段中都含有铜原子，作为单核 [Cu(NR2S2)]− 亚位点之间的连接器，以及在这些构建块内的 CuS2N2} 单元中，可以将其描述为不完全配位八面体不寻常的设计。由于配体系统的空间需求和铜原子的电子需求之间有利的相互作用，[Cu(NR2S2)]-金属配体中的氮供体原子被限制为相同的绝对构型。两个 [Cu(NR2S2)]- 金属配体与另外两个 CuI 离子的组合通过 S-Cu-S 桥产生四核配合物 1 或 2 是立体化学控制的基础，从而产生具有 (R, R, R, R) 和 (S,S,S,S) 配置。因此，其对映体形式的金属配体不能通过
• Syntheses and structures of transition metal thiolate complexes containing the new bis(tetramethylguanidine) ligand btmgp
  作者：Siegfried Pohl、Michael Harmjanz、Jörg Schneider、Wolfgang Saak、Gerald Henkel

  DOI：10.1016/s0020-1693(00)00310-8

  日期：2000.12

  Phe syntheses. spectroscopic and structural characterizations of the first iron and copper thiolate guanidine complexes are described. Reactions of the neutral complexes [Cu[(btmgp)] and [FeI2(btmgp)] [btmgp = 1,3-bis(N,N,N',N'-tetramethyl-guanidino)propane] with different uni- and bi-dentate thiolate ions yield the three-coordinate complex [Cu(S-2,4,6-(Bu3C6H2)-Bu-1)(btmgp)] (1) and the four-coordinate complexes [Fe(S-2,4,6-(Pr3C6H2)-Pr-1)(2)(btmgp)] (2) and [Fe(SiMe2(C6H4S)(2))(btmgp)] (3) respectively. Starting with [Fe(N(SiMe3)(2))(2)], btmgp and the dithiol SiMe2(C6H4SH)(2), an alternative procedure for the preparation of 3 is reported, demonstrating a useful synthetic approach towards neutral, N S mixed coordinated Fe(II) complexes. The X-ray structure analyses of 1 - 3 reveal trigonal planar (2N 1S) (1) and tetrahedral (2N 2S) (2, 3) coordination environments around the metal centers. (C) 2000 Elsevier Science B.V. All rights reserved.
• Hydroxylation of a methyl group: synthesis of [Cu2(btmmO)2I]+ and of [Cu2(btmmO)2]2+ containing the novel ligand {bis(trimethylmethoxy)guanidino}propane (btmmO) by copper-assisted oxygen activation
  作者：Sonja Herres、Andreas J. Heuwing、Ulrich Flörke、Jörg Schneider、Gerald Henkel

  DOI：10.1016/j.ica.2004.10.009

  日期：2005.3

  The reaction of the bisguanidine copper(I) compounds [Cu(btmgp)I] and [Cu-2(btmgp)(2)][PF6](2) with molecular oxygen afforded at low temperatures complexes containing the bis-mu-oxo dicopper(III) core, which is capable to hydroxylate one of the N-CH3-groups of the bis(tetramethyl)guanidino} propane ligands. The formation of the novel ligand bis(trimethylmethoxy)guanidino} propane (btmmO) is reported as it represents the first hydroxylation of a N-methyl group. The products of this reaction are novel alkoxo-bridged binuclear copper complexes, namely [Cu-2(btmmO)(2)I](+) containing an iodide ion in a novel bridging situation, as well as [Cu-2(btmmO)(2)](2+) which have been identified in their complex salts [Cu-2(btmmO)(2)I]I(.)1/2 C2H5OH and [Cu-2(btmmO)(2)][PF6](2)(.)2-MeCN, respectively. Concomitantly, the hydroxo-bridged binuclear copper compounds [Cu-2(btmgp)(2)(mu-OH)(2)]I-2 and [Cu-2(btmgp)(2)(mu-OH)(2)][PF6](2) are formed as couple products. The formation of the bis-mu-oxodicopper(III) complexes was monitored by UV/Vis-spectroscopy, and the reaction products were characterised by X-ray diffraction, vibrational spectroscopy and elemental analysis. (c) 2004 Elsevier B.V. All rights reserved.