(2,2'-bis(pyrazolyl)ethylamine)(triphenylphosphine)copper(I) nitrate | 892862-28-1

• 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: (2,2'-bis(pyrazolyl)ethylamine)(triphenylphosphine)copper(I) nitrate
• 英文别名: ((PPh3)Cu[(pz)2CHCH2N2])(NO3)；copper(1+);2,2-di(pyrazol-1-yl)ethanamine;triphenylphosphane;nitrate
• CAS: 892862-28-1
• 化学式: C₂₆H₂₆CuN₅P*NO₃
• 分子量: 565.051
• InChiKey: OVHNEWXNECTXBI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.29
• 重原子数：
  37
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  125
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2,2′-bis(pyrazolyl)ethanamine 、 双(三苯基膦)硝酸铜(I) 以 not given 为溶剂， 生成 (2,2'-bis(pyrazolyl)ethylamine)(triphenylphosphine)copper(I) nitrate
  参考文献：
  名称：

  New N,N,N-Heteroscorpionates Based on 2,2‘-Bis(pyrazolyl)ethanamine and Its Derivatives. Ligands Designed for Probing Supramolecular Interactions

  摘要：

  The successful design and synthesis of the new bis( pyrazolyl)ethanamine ligand and its copper( I) triphenylphosphine complex is reported. The ligand coordinates to the copper( I) center in a fac tridentate fashion, through both the pyrazolyl rings and the nitrogen atom from the NH2 group. In the solid state, the compound is organized in a 2D noncovalent network by N - H center dot center dot center dot pi and C - H center dot center dot center dot pi interactions and hydrogen bonds. The analogous ligand with a benzyl group substituted on the amine forms a complex with the same copper( I) center that has a similar 2D supramolecular structure and, in addition, is organized by the benzyl synthon into a 3D architecture.

  DOI：

  10.1021/ic060347o

文献信息

• Metal complexes of new scorpionate ligands: 2,2′-Bis(pyrazolyl)ethylamine and its derivatives
  作者：Daniel L. Reger、Bryn Reinecke、Mark D. Smith、Radu F. Semeniuc

  DOI：10.1016/j.ica.2009.06.004

  日期：2009.9

  The new bis(pyrazolyl) amine ligand NH2CH2CH(pz)(2) (1) was prepared from the reaction of N-[2,2bis(pyrazolyl) ethyl]-1,8-naphthalimide with hydrazine monohydrate. A substituted derivative, C6H5CH2NHCH2CH(pz)(2) (2), was prepared by the reaction of 1 with benzaldehyde followed by reduction with NaBH4. Ligand 1 was also converted by two methods to the new bitopic, para-linked bis( pyrazolyl) amine ligand p-C6H4(CH2NHCH2CH(pz)(2))(2), (3). The reactions of the ligands 1-3 with [Cu(PPh3)(2)]NO3 yields (PPh3)Cu[(pz)(2)CHCH2NH2]}NO3, (PPh3)Cu[(pz)(2)CHCH2NHCH2C6H5]}NO3 and [(PPh3)Cu](2)[p((pz)(2)CHCH2NHCH2)(2)C6H4]}(NO3)(2)center dot solvate, respectively. Complex (N-3)(2)Cu[(pz)(2)CHCH2NHCH2C6H5]} was obtained from a methanol solution of 2, copper(II) acetate monohydrate and sodium azide. The complex Cd[(pz)(2)CHCH2NHCH2C6H5](2)}(PF6)(2)center dot 3C(3)H(6)O was synthesized by reaction of the protonated form of ligand 2, [(pz)(2)CHCH2NH2CH2C6H5]PF6, with Cd( acac) 2. In all of the structures the ligands are tridentate, bonding to the metal through the lone pair on the amine group as well as through the pyrazolyl rings they act as true scorpionates. The solid state structures all have extensive non-covalent interactions, with the N-H functional groups of the aminesparticipating in both N-H center dot center dot center dot p and N-H center dot center dot center dot O or N-H center dot center dot center dot N hydrogen bonding interactions. (C) 2009 Elsevier B.V. All rights reserved.