bromo(imidazolidine-2-thione)copper(I) | 77309-54-7

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: bromo(imidazolidine-2-thione)copper(I)
• CAS: 77309-54-7
• 化学式: Br*C₃H₆N₂S*Cu
• 分子量: 245.61
• InChiKey: WSNROGMWBRRYOI-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -3.53
• 重原子数：
  8.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  24.06
• 氢给体数：
  2.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  bromo(4,5-bis(diphenylphosphano)-9,9-dimethylxanthene)(imidazolidine-2-thione)copper(I) 以 氯仿 为溶剂， 生成 bromo(imidazolidine-2-thione)copper(I)
  参考文献：
  名称：

  宽咬角二膦黄腐磷铜（I）卤化物螯合物：[CuBr（黄腐磷）（dmpymtH）]和[CuI（黄腐磷）（imdtH2）]·CH3CN的晶体结构

  摘要：

  摘要合成了含有二膦黄酮（4,5-双（二苯基膦基）-9,9-二甲基-an吨）和一些杂环硫酮配体的卤化铜（I）配合物，并通过1 H NMR，IR光谱，元素分析和熔点测定。通过将乙炔配体添加到乙腈/甲醇溶液中的CuX-二膦加合物中，可以轻松获得配合物。通过单晶X射线衍射建立了[CuBr（xantphos）（dmpymtH）]和[CuI（xantphos）（imdtH 2）]·CH 3 CN的分子结构。这些结构中的每一个都具有一个四面体的铜（I）中心，该中心具有两个来自螯合双磷配体的磷原子，一个卤素原子和杂环硫酰胺单元的环外硫原子。通过将其乙腈溶液在室温下放置几天，混合配体复合物会通过配体解离而迅速分解。发现所得的有色晶体不仅在元素分析上而且在其NMR和IR光谱的基础上，都是组成[CuX（硫酮）]的无膦配位聚合物。

  DOI：

  10.1016/j.ica.2006.02.046

文献信息

• Metal derivatives of heterocyclic-2-thiones: Variable donor ability, C–S rupture and new structural motifs
  作者：TARLOK S LOBANA、RAZIA SULTANA

  DOI：10.1007/s12039-012-0327-0

  日期：2012.11

  imidazolidine-2-thione (SN2C3H6), imidazoline-2-thione (SN2C3H4), 1-methyl-imidazoline-2-thione (SN2C4H6) and thiazolidine-2-thione (S2NC3H5) with coinage and some other metals are described. The synthesis, solvent effect, isolation of new products after C–S rupture and crystal structure are also discussed. For example, copper(I) bromide with 1-methyl-imidazoline-2-thione (SN2C4H6) in acetonitrile formed

  基于杂环-2-硫酮的硫配体的化学结构，即吡啶-2-硫酮（SNC 5 H 5），咪唑烷-2-硫酮（SN 2 C 3 H 6），咪唑啉-2-硫酮（SN 2 C 3 H 4），1-甲基咪唑啉-2-硫酮（SN 2 C 4 H 6）和噻唑烷-2-硫酮（S 2 NC 3 H 5）以及造币和一些其他金属。还讨论了C–S断裂后新产品的合成，溶剂作用，分离和晶体结构。例如，溴化铜（I）与1-甲基-咪唑啉-2-硫酮（SN2 C 4 H 6）在乙腈中形成Cu \（^ \ textrm I}} \）三核配合物Cu \（_ 3}（\ kappa} ^ 1} \）- Br）3（μ -SN 2 C 4 H 6）3 }·CH 3 CN。在氯仿存在下，该反应涉及C–S键断裂，硫氧化为硫酸根和环溴化并形成四核簇Cu \（_ 4}（\ kappa ^ 1} \）- N-（N 2 ç 4 ħ 5溴）4（μ 4 -O）（μ
• Versatility of Heterocyclic Thioamides in the Construction of a Trinuclear Cluster [Cu₃I₃(dppe)₃(SC₅H₄NH)] and Cu^I Linear Polymers {Cu₆(SC₅H₄NH)₆I₆}<i>_n</i>·2<i>n</i>CH₃CN and {Cu^I₆(SC₃H₆N₂)₆X₆}<i>_n</i> (X = Br, I)
  作者：Tarlok S. Lobana、Ritu Sharma、Renu Sharma、Sheetal Mehra、Alfonso Castineiras、Peter Turner

  DOI：10.1021/ic0484809

  日期：2005.3.21

  CH3CN-CHCl3 mixture yielded a triangular cluster, [Cu3I3(mu2-P,P-dppe)3 (eta1-SC5H4NH)], 1. Similar reaction with 2-SC5H4NH and a series of diphosphanes, Ph2P-X-Ph2P X = -CH2- (dppm), -(CH2)3- (dppp), -(CH2)4- (dppb), -CH=CH- (dppen)}, gave a novel iodo-bridged hexanuclear Cu(I) linear polymer,Cu6(mu3-SC5H4NH)4 (mu2-SC5H4NH)2 (I4)(mu-I)2-}n x 2nCH3CN, 2. Reactions of copper(I) iodide/copper(I) bromide with

  碘化铜（I）与吡啶-2-硫酮（2-SC5H4NH）和1,2-双（二苯基膦基）乙烷（dppe）在CH3CN-CHCl3混合物中的反应产生三角形簇[Cu3I3（mu2-P，P -dppe）3（eta1-SC5H4NH）]。1.与2-SC5H4NH和一系列二膦烷Ph2P-X-Ph2P X = -CH2-（dppm），-（ ）3-（dppp）， -（ ）4-（dppb），-CH = CH-（dppen）}，得到了一种新型的碘桥联六核Cu（I）线性聚合物，Cu6（mu3-SC5H4NH）4（mu2-SC5H4NH）2（I4 ）（mu-I）2-} nx 2nCH3CN，2.在CH3CN- 混合物中，碘化铜（I）/溴化铜（I）与1,3-咪唑烷-2-硫酮（SC3H6N2）的反应生成六核Cu（ I）线性链聚合物，[Cu6（mu3-SC3H6N2）2（mu2-SC3H6N2）4X2（mu-X）4}
• Synthesis of 1D {Cu₆(μ₃-SC₃H₆N₂)₄(μ-SC₃H₆N₂)₂(μ-I)₂I₄}<i>_n</i> and 3D {Cu₂(μ-SC₃H₆N₂)₂(μ-SCN)₂}<i>_n</i> Polymers with 1,3-Imidazolidine-2-thione: Bond Isomerism in Polymers
  作者：Tarlok S. Lobana、Renu Sharma、Geeta Hundal、R. J. Butcher

  DOI：10.1021/ic061115s

  日期：2006.11.1

  The reaction of copper( I) iodide with 1, 3-imidazolidine-2-thione (SC3H6N2) in a 1: 2 molar ratio (M/L) has formed unusual 1D polymers, Cu-6(mu(3)-SC3H6N2)(4)(mu-SC3H6N2)(2)(mu-I)(2)I-4}(n) (1) and Cu6(mu 3-SC3H6N2)(2)(mu-SC3H6N2)(4)(mu-I)(4)I-2}(n) (1a). A similar reaction with copper(I) bromide has formed a polymer Cu-6(mu(3)-SC3H6N2)(2)(mu-SC3H6N2)(4)(mu-Br)(4)Br-2}(n) (3a), similar to 1a, along with a dimer, Cu-2(mu-SC3H6N2)(2)(eta(1)-SC3H6N2)(2)Br-2} (3). Copper(I) chloride behaved differently, and only an unsymmetrical dimer, Cu-2(mu-SC3H6N2)(eta 1-SC3H6N2)(3)Cl-2} (4), was formed. Finally, reactions of copper(I) thiocyanate in 1:1 or 1:2 molar ratios yielded a 3D polymer, Cu-2(mu-SC3H6N2)(2)(mu-SCN)(2)}(n) (2). Crystal data: 1, C9H18Cu3I3N6S3, triclinic, P (1) over bar, a = 9.6646(11) angstrom, b = 10.5520(13) angstrom, c = 12.6177(15) angstrom, alpha = 107.239(2)degrees, beta = 99.844(2)degrees, gamma = 113.682(2)degrees, V = 1061.8(2) angstrom(3), Z = 2, R = 0.0333; 2, C4H6CuN3S2, monoclinic, P2(1)/c, a = 7.864(3) angstrom, b) 14.328(6) angstrom, c = 6.737(2) angstrom, beta = 100.07(3)degrees, V = 747.4(5), Z = 4, R = 0.0363; 3, C12H24Br2Cu2N8S4, monoclinic, C2/c, a = 19.420(7) angstrom, b = 7.686(3) angstrom, c = 16.706(6) angstrom, beta = 115.844(6), V = 2244.1(14) angstrom(3), Z = 4, R = 0.0228; 4, C12H24Cl2Cu2N8S4, monoclinic, P2(1)/c, a = 7.4500(6) angstrom, b = 18.4965(15) angstrom, c = 16.2131 (14) angstrom, beta = 95.036(2)degrees, V = 2225.5(3) angstrom(3), Z = 4, R = 0.0392. The 3D polymer 2 exhibits 20-membered metallacyclic rings in its structure, while synthesis of linear polymers, 1 and 1a, represents an unusual example of I (1a)-S (1) bond isomerism.