4-ethoxycarbonylpiperidine-1-dithiocarbamate potassium salt

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 4-ethoxycarbonylpiperidine-1-dithiocarbamate potassium salt
• 英文别名: potassium 4-ethoxycarbonylpiperidine-1-dithiocarbamate；Potassium;4-ethoxycarbonylpiperidine-1-carbodithioate；potassium;4-ethoxycarbonylpiperidine-1-carbodithioate
• 化学式: C₉H₁₄NO₂S₂*K
• 分子量: 271.446
• InChiKey: LTJWQPBPEDIIBU-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.9
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  62.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-ethoxycarbonylpiperidine-1-dithiocarbamate potassium salt 、 copper(II) acetate monohydrate 以 甲醇 为溶剂， 反应 0.5h， 以79%的产率得到
  参考文献：
  名称：

  Syntheses, crystal structures and conducting properties of new homoleptic copper (II) dithiocarbamate complexes

  摘要：

  Five new homoleptic dithiocarbamate complexes of the general formula [Cu(L)(2)] [ L = L-1 (N-benzyl-N-furfuryl dithiocarbamate) (1); L-2 (N, N-difurfuryldithiocarbamate) (2); L-3 (4-ethoxycarbonylpiperidine-1dithiocarbamate) (3); L-4 (4-ethoxycarbonylpiperazine-1-dithiocarbamate) (4) and L-5 (N-benzyl-N-3-methylpyridyl dithiocarbamate) (5) have been prepared and characterized by elemental analysis, spectroscopy (IR, UV-Vis, EPR), magnetic moment determination and cyclic voltammetry; their structures have been elucidated by X-ray crystallography. Variations in sterically demanding substituents on the dithiocarbamate units lead to different structures. 1, 2, 3 and 4 are Cu(dtc) 2 moieties in which the copper atoms occupy square planar environments which are connected via weak interactions in axial positions to form centrosymmetric dimers. The weak Cu...S distances vary significantly in the four complexes. By contrast 5 is a monomer with two molecules in the asymmetric unit. The supramolecular architecture in the five complexes has been sustained in the solid state by, C-H center dot center dot center dot S, C-H center dot center dot center dot O, pi center dot center dot center dot pi and C-H center dot center dot center dot pi (chelate, CuS2C) interactions. The electrical properties of all the complexes studied by the impedance spectroscopic technique in the 303-373 K temperature range show semiconducting properties with rrt = 10(-5) S cm(-1) and Ea = 0.23-0.66 eV. The dielectric properties of the complexes have been measured at variable frequency (100 Hz-5 MHz) in the 303-373 K range; and show notably that complex 3 has a high dielectric constant. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2013.09.006
• 作为产物：
  描述：

  二硫化碳 、 哌啶-4-甲酸乙酯 在 potassium hydroxide 作用下， 以 四氢呋喃 为溶剂， 生成 4-ethoxycarbonylpiperidine-1-dithiocarbamate potassium salt
  参考文献：
  名称：

  功能性对有机锡（IV）二硫代氨基甲酸酯配合物的结构和发光性能的影响

  摘要：

  五个新的有机金属（IV）二硫代氨基甲酸酯络合物，形式为R 2 SnL 2（R =  n Bu，L = L1，（4-苯基哌嗪-1-二硫代氨基甲酸酯）1，L2，（N-苄基-N'-甲基-4-吡啶基二硫代氨基甲酸酯）2 ; Ph，L3，（N-苄基-N'-甲基-3-吡啶基二硫代氨基甲酸酯）3）和Ph 3 SnL（L = L4，（N，N'-二（甲基-3-吡啶基二硫代氨基甲酸酯））4， L5，（4-乙氧基羰基哌啶-1-二硫代氨基甲酸酯）5）已合成并通过元素分析，光谱法（IR，UV-Vis。，1 H，13 C和119）表征Sn NMR）及其结构已通过单晶X射线晶体学研究。在（1，2）的结构已丙2对称性以高度扭曲的八面体六配位几何形状，其中所述二齿配体非对称键合的锡原子和两个Ñ卜基团在140.7的金属对向的角度（1） ，141.4（3）°。相比之下，具有苯基取代基的C 2对称的3也是紧密八面体的。在3中，d

  DOI：

  10.1016/j.jorganchem.2015.03.034

文献信息

• Intermolecular anagostic interactions in group 10 metal dithiocarbamates
  作者：Ajit N. Gupta、Vinod Kumar、Vikram Singh、Krishna K. Manar、Michael G. B. Drew、Nanhai Singh

  DOI：10.1039/c4ce01263a

  日期：——

  New functionalized homoleptic xanthate and dithiocarbamates of the form [M(L)2] (M = Ni(II), L = L1 (4-methoxyphenethylxanthate) 1, L2 (4-ethoxycarbonylpiperidine-1-dithiocarbamate) 2, L3 (N,N′-difurfuryldithiocarbamate) 3; M = Pt(II), L3, 4, M = Pd(II), L4 (N-benzyl-N′-3-methylpyridyldithiocarbamate) 5) have been synthesized and characterized using microanalyses, and their structures have been investigated

  [M（L）2 ]形式的新功能化均化黄原酸酯和二硫代氨基甲酸酯（M = Ni（II），L = L1（4-甲氧基苯乙基黄原酸酯）1，L2（4-乙氧基羰基哌啶-1-二硫代氨基甲酸酯）2，L3（N，ñ '-difurfuryldithiocarbamate）3 ; M =的Pt（II），L3，4，M =加入Pd（II），L4（ñ苄基ñ '-3- methylpyridyldithiocarbamate）5）已通过显微分析合成和表征，并通过X射线晶体学研究了它们的结构。所有五个配合物均与中心金属呈中心对称的扭曲方形平面结构。畸变按Pt> Pd> Ni的顺序变化。在3，4和5的配体框架和晶体堆积效应迫使上的取代基与金属中心接近的亚甲基质子，形成分子间C-H⋯M（M =的Ni，Pt和Pd）anagostic相互作用并产生1 -D聚合物链；图4和图5是包含Pt和Pd的第一实例，其显示出这种相互作用。在2中
• Influence of functionalities on the structure and luminescent properties of organotin(IV) dithiocarbamate complexes
  作者：Ajit N. Gupta、Vinod Kumar、Vikram Singh、Amit Rajput、Lal Bahadur Prasad、Michael G.B. Drew、Nanhai Singh

  DOI：10.1016/j.jorganchem.2015.03.034

  日期：2015.7

  by elemental analysis, spectroscopy (IR, UV–Vis., 1H, 13C and 119Sn NMR) and their structures have been investigated by single crystal X-ray crystallography. In (1,2) the structure has C2 symmetry with the tin atom in a highly distorted octahedral six-coordinate geometry in which the bidentate ligands are asymmetrically bonded and the two nBu groups subtend an angle at the metal of 140.7(1), 141.4(3)°

  五个新的有机金属（IV）二硫代氨基甲酸酯络合物，形式为R 2 SnL 2（R =  n Bu，L = L1，（4-苯基哌嗪-1-二硫代氨基甲酸酯）1，L2，（N-苄基-N'-甲基-4-吡啶基二硫代氨基甲酸酯）2 ; Ph，L3，（N-苄基-N'-甲基-3-吡啶基二硫代氨基甲酸酯）3）和Ph 3 SnL（L = L4，（N，N'-二（甲基-3-吡啶基二硫代氨基甲酸酯））4， L5，（4-乙氧基羰基哌啶-1-二硫代氨基甲酸酯）5）已合成并通过元素分析，光谱法（IR，UV-Vis。，1 H，13 C和119）表征Sn NMR）及其结构已通过单晶X射线晶体学研究。在（1，2）的结构已丙2对称性以高度扭曲的八面体六配位几何形状，其中所述二齿配体非对称键合的锡原子和两个Ñ卜基团在140.7的金属对向的角度（1） ，141.4（3）°。相比之下，具有苯基取代基的C 2对称的3也是紧密八面体的。在3中，d
• Syntheses, crystal structures and conducting properties of new homoleptic copper (II) dithiocarbamate complexes
  作者：Ajit N. Gupta、Vikram Singh、Vinod Kumar、Amit Rajput、Laxman Singh、Michael G.B. Drew、Nanhai Singh

  DOI：10.1016/j.ica.2013.09.006

  日期：2013.11

  Five new homoleptic dithiocarbamate complexes of the general formula [Cu(L)(2)] [ L = L-1 (N-benzyl-N-furfuryl dithiocarbamate) (1); L-2 (N, N-difurfuryldithiocarbamate) (2); L-3 (4-ethoxycarbonylpiperidine-1dithiocarbamate) (3); L-4 (4-ethoxycarbonylpiperazine-1-dithiocarbamate) (4) and L-5 (N-benzyl-N-3-methylpyridyl dithiocarbamate) (5) have been prepared and characterized by elemental analysis, spectroscopy (IR, UV-Vis, EPR), magnetic moment determination and cyclic voltammetry; their structures have been elucidated by X-ray crystallography. Variations in sterically demanding substituents on the dithiocarbamate units lead to different structures. 1, 2, 3 and 4 are Cu(dtc) 2 moieties in which the copper atoms occupy square planar environments which are connected via weak interactions in axial positions to form centrosymmetric dimers. The weak Cu...S distances vary significantly in the four complexes. By contrast 5 is a monomer with two molecules in the asymmetric unit. The supramolecular architecture in the five complexes has been sustained in the solid state by, C-H center dot center dot center dot S, C-H center dot center dot center dot O, pi center dot center dot center dot pi and C-H center dot center dot center dot pi (chelate, CuS2C) interactions. The electrical properties of all the complexes studied by the impedance spectroscopic technique in the 303-373 K temperature range show semiconducting properties with rrt = 10(-5) S cm(-1) and Ea = 0.23-0.66 eV. The dielectric properties of the complexes have been measured at variable frequency (100 Hz-5 MHz) in the 303-373 K range; and show notably that complex 3 has a high dielectric constant. (C) 2013 Elsevier B.V. All rights reserved.