N,N,N′,N'-tetraisopropylpyridine-2,6-dithiocarboxamide | 959793-18-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: N,N,N′,N'-tetraisopropylpyridine-2,6-dithiocarboxamide
• 英文别名: N,N,N',N'-tetraisopropylpyridine-2,6-dithiocarboxamide；2-N,2-N,6-N,6-N-tetra(propan-2-yl)pyridine-2,6-dicarbothioamide
• CAS: 959793-18-1
• 化学式: C₁₉H₃₁N₃S₂
• 分子量: 365.607
• InChiKey: LTQGLEIDCYTXJA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  83.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N,N,N′,N'-tetraisopropylpyridine-2,6-dithiocarboxamide 、 copper dichloride 以 异丙醇 、 乙腈 为溶剂， 生成 [[Cu(S-dppt)]2(μ-Cl)2][Cu2Cl4(μ-Cl)2]
  参考文献：
  名称：

  Synthesis, X-ray structure and magnetic studies of Cu(II) complexes of tridentate SNS ligands (S-dbpt, N,N,N′,N′-tetraisobutylpyridine-2,6-dithiocarboxamide; S-dppt, N,N,N′,N′-tetraisopropylpyridine-2,6-dithiocarboxamide): Role of steric factors on the geometry around Cu(II)

  摘要：

  The synthesis, structure and magnetic properties of two new tetranuclear copper(II) compounds [{Cu(S-dbpt)}(2)(mu-Cl)(2)][{CuCl2}(2)(mu-Cl)(2)] (S-dbpt; N,N,N',N'-tetraisobutylpyridine-2,6-dithiocarboxamide) 1 and [{CuCl(S-dppt)}](2)[{CuCl2}(2)(mu-Cl)(2)] (S-dppt; N,N,N',N'-tetraisopropylpyridine-2,6-dithiocarboxamide) 2 are reported. Both compounds contain a cationic complex with copper(II) coordinated to the ligand through both the thioamide S atoms and pyridilic N atom and one chlorine atom. The structure of the cationic dinuclear entity [{Cu(S-dbpt)}(2)(mu-Cl)(2)](2+) in 1 consists of two square pyramids sharing a basal to apical edge. For compound 2, there are two cationic mononuclear complexes [{CuCl(S-dppt)}](+). Both compounds contain the same dinuclear chlorine bridged anion [{CuCl2}(2)(mu-Cl-2](2-) containing a planar [Cu-2(mu-Cl)(2)] core. Magnetic susceptibility measurements show weak antiferromagnetic coupling between the Cu(II) ions in these anionic complexes (J= -077cm(-1) for 1 and 0.88 cm(-1) for 2). The cationic complex of 1 shows a ferromagnetic interaction with J = +3.2 cm(-1). (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2007.07.022

文献信息

• Synthesis and X-ray crystal structures of N,N,N′,N′-tetraalkylpyridine-2,6-dithiocarboxamides (S-dapt) complexes of cobalt(II) and nickel(II)
  作者：Pratibha Kapoor、Ajay Pal Singh Pannu、Love Karan Rana、Ramesh Kapoor、Geeta Hundal、Maninder Singh Hundal

  DOI：10.1080/00958972.2013.859679

  日期：2013.12.10

  (X = Br−, SCN−) and Ni(ClO4)2 with N,N,N′,N′-tetraisobutylpyridine-2,6-dithiocarboxamides (S-dbpt), N,N,N′,N′-tetraisopropyl pyridine-2,6-dithiocarboxamides (S-dppt), and N,N,N′,N′-tetraethylpyridine-2,6-dithiocarboxamides (S-dept) lead to the formation of [Co(S-dbpt)Br2] (1), [Co(S-dppt)(SCN)2] (2), and [Ni(S-dept)2]·(ClO4)2·H2O (3), respectively. The X-ray crystal structures of the three S-dapt ligands

  无水 CoX2 (X = Br-, SCN-) 和 Ni(ClO4)2 与 N,N,N',N'-四异丁基吡啶-2,6-二硫代甲酰胺 (S-dbpt), N,N,N' 的反应， N'-四异丙基吡啶-2,6-二硫代甲酰胺 (S-dppt) 和 N,N,N',N'-四乙基吡啶-2,6-二硫代甲酰胺 (S-dept) 导致 [Co(S- dbpt)Br2] (1)、[Co(S-dppt)(SCN)2] (2) 和 [Ni(S-dept)2]·( )2·H2O (3)。介绍了三种 S-dapt 配体和三种配合物的 X 射线晶体结构以及光谱分析。S-dapt 配体的分子结构研究表明，硫酰胺平面相对于吡啶环扭曲，在苯基的情况下更是如此。Co(II) 配合物的结构表明，配体酰胺侧臂上空间拥挤的增加对相应配合物采用的几何形状没有实质性影响。Co(II) 仅提供 1:1 的五坐标离子对复合物，具有扭曲的