[CuCl2(bis(2-(benzylthio)ethyl)amine)] | 1101928-39-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [CuCl2(bis(2-(benzylthio)ethyl)amine)]
• 英文别名: copper;2-benzylsulfanyl-N-(2-benzylsulfanylethyl)ethanamine;dichloride
• CAS: 1101928-39-5
• 化学式: C₁₈H₂₃Cl₂CuNS₂
• 分子量: 451.971
• InChiKey: GCSOVBMDLOOZER-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -1.55
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  62.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  N,N-bis(2-benzylmercaptoethyl)amine 、 copper dichloride 在 Et₂O 作用下， 以 乙腈 为溶剂， 以80%的产率得到[CuCl2(bis(2-(benzylthio)ethyl)amine)]
  参考文献：
  名称：

  脂族三齿胺/二硫醚配体的铜（II）配合物–合成和分子结构

  摘要：

  三个新的三齿配体（1 - 3），具有通过亚乙基桥连接至两个硫醚施主功能与中央仲胺小号甲基或小号-苄基取代基已被合成并与铜（II）或氯化铜（II）硝酸盐反应。将得到的型[的CuX的络合物2（L）]（L =胺-二硫醚配体）6，7和9显示出一个四方锥协调的几何形状与所述三齿的氮和硫的供体基团的配体占据三个基底结合金属离子上的位点。两个氯（6和7）或一个硝基配体（9源自金属前体盐的）完善了铜（II）离子的配位范围。与基面中的相同供体相比，顶端供体的结合距离明显更长。可以通过硝酸银（I）提取弱结合的6根顶端的氯配体，从而形成双核络合物10，其特征为以桥联方式与两个铜（II）中心配位的硝酸根配体。对于所有铜（II）配合物，观察到的Cu-S键距都非常相似，并且不受硫醚供体官能团上烷基基团的变化的显着影响。

  DOI：

  10.1016/j.ica.2012.04.023

文献信息

• Structures of Copper Complexes of the Hybrid [SNS] Ligand of Bis(2-(benzylthio)ethyl)amine and Facile Catalytic Formation of 1-Benzyl-4-phenyl-1<i>H</i>-1,2,3-triazole through Click Reaction
  作者：Shi-Qiang Bai、Lip Lin Koh、T. S. Andy Hor

  DOI：10.1021/ic801690v

  日期：2009.2.2

  A hybrid ligand, bis(2-(benzylthio)ethyl)amine (SNS), with an amine and two thioether donors reacts with Cu(II) to give mononuclear [CuCl2(SNS)] (1), [CuBr2(SNS)] (2), [Cu(OTf)(2)(SNS)(OH2)] (3), and an one-dimensional Cu(I) coordination polymer [Cu2I2(SNS)](n) (4). All complexes have been characterized by single-crystal X-ray diffraction analysis, and 1-3 were studied by EPR analysis at room temperature. Complexes 1 and 2 are penta-coordinated with a distorted square pyramidal metal supported by a tridentate SNS ligand on the basal plane. Complex 3 shows a tetragonally distorted octahedral sphere with two trans and weakly bonding monodentate triflates. A 12-membered ring in the solid lattice is formed by intermolecular H-bonding among the coordinated triflate and aqua ligands from four neighboring molecules. Complex 4, the only Cu(I) in this series, shows a coordination polymer chain [CU4I4](n) comprising tetrahedral Cu(I) centers stitched by the SNS ligand in a unique bridge-chelate mode in the form of a helix. All four complexes are catalytically active at room temperature in a copper-catalyzed azide-alkyne cycloaddition (CuAAA) three-component click reaction of benzyl chloride, sodium azide, and phenylacetylene in an aqueous MeCN mixture to give good isolated yields of 1-benzyl-4-phenyl-1H-1,2,3-triazole, without the use of a base or reducing agent.