钠4-羟基-1-哌啶二硫代甲酸酯 | 89970-78-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 钠4-羟基-1-哌啶二硫代甲酸酯
• 中文别名: 苯甲醇,5-氨基-2-(4-甲基-1-哌嗪基)-
• 英文名称: sodium 4-piperidinoldithiocarbamate
• 英文别名: 4-Hydroxypiperidine-N-dithiocarboxylate；sodium;4-hydroxypiperidine-1-carbodithioate
• CAS: 89970-78-5
• 化学式: C₆H₁₀NOS₂*Na
• 分子量: 199.273
• InChiKey: YPVKLEKSSJSAOZ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.72
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  56.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  钠4-羟基-1-哌啶二硫代甲酸酯 、 乙酸苯汞 以 二氯甲烷 为溶剂， 反应 1.0h， 以83%的产率得到phenylmercury 4-hydroxypiperidinedithiocarbamate
  参考文献：
  名称：

  The interplay of thiophilic and hydrogen bonding interactions in the supramolecular architecture of phenylmercury 4-hydroxypiperidine dithiocarbamate

  摘要：

  A new phenylmercury(II) dithiocarbamate complex [PhHg(S2CN(CH2)(4)CH(OH)], (1) has been synthesized and characterized by elemental analyses, IR, H-1 and C-13 NMR spectroscopy and X-ray crystallography. The crystal structure of 1 shows a linear arrangement at the Hg(II) centre of the molecule through bonding of the sulphur atom of the dithiocarbamate ligand and the carbon atom of the aromatic ring. Weak intermolecular thiophilic Hg center dot center dot center dot S interactions lead to a "head-to-tail" dimer and the presence of a hydroxyl group at the periphery of piperidine moiety generates a 1D-chain network through intermolecular O center dot center dot center dot H interactions. The nature of weak intra- and intermolecular Hg center dot center dot center dot S, H center dot center dot center dot S and intermolecular O center dot center dot center dot H interactions have been assessed with the help of ab initio calculations and atoms-in-molecules (AIM) approach. (C) 2015 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2015.10.001
• 作为产物：
  描述：

  4-羟基哌啶 、 二硫化碳 在 sodium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 0.67h， 生成 钠4-羟基-1-哌啶二硫代甲酸酯
  参考文献：
  名称：

  New single-source precursor for bismuth sulfide and its use as low-cost counter electrode material for dye-sensitized solar cells

  摘要：

  One new homoleptic [Bi(dtc)(3)] (1) (dtc = 4-hydroxypiperdine dithiocarbamate) has been synthesized and characterized by microanalysis, IR, UV-Vis, H-1 and C-13 spectroscopy and X-ray crystallography. The photoluminescence spectrum for the compound in DMSO solution was recorded. The crystal structure of 1 displayed distorted octahedral geometry around the Bi(III) center bonded through sulfur atoms of the dithiocarbamate ligands. TGA indicates that the compound decomposes to a Bi and Bi-S phase system. The Bi and Bi-S obtained from decomposition of the compound have been characterized by pXRD, EDAX and SEM. Solvothermal decomposition of 1 in the absence and presence of two different capping agents yielded three morphologically different Bi2S3 systems which were deployed as counter-electrode in dye-sensitized solar cells (DSSCs). (C) 2015 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2015.03.007

文献信息

• 1,2-Bis(diphenylphosphino)ethane nickel(II)dithiocarbamate as potential precursor for nickel sulfide: Effect of counter anion on phase and morphology
  作者：Ratna Chauhan、Manoj Trivedi、Jyoti Singh、Kieran C. Molloy、Gabriele Kociok-Köhn、Uttamrao P. Mulik、Dinesh P. Amalnerkar、Abhinav Kumar

  DOI：10.1016/j.ica.2014.02.038

  日期：2014.5

  One heteroleptic Ni(II) dppe dithiocarbamate complex cation [NiS2CN(CH2)(4)CHOH)}(dppe)](+) with three different counter anions viz. PF6 (1), BPh4 (2) and BF4 (3) have been synthesized and characterized by microanalysis, IR, UV-Vis, H-1, C-13 and P-31 NMR spectroscopy and X-ray crystallography. The crystal structure of 2 displayed distorted square planar geometry around Ni(II) center bonded through sulfur atoms of the dithiocarbamate ligand and two phosphorus atoms of the dppe. TGA results indicated that all the three compounds display loss of solvents at the outset and decompose to Ni-S phase systems. The nickel sulfides obtained from decomposition of 1-3 have been characterized by pXRD and SEM. The effect of the bulkiness of the counter anions on the phase and morphology of decomposed product have been observed using pXRD and SEM analysis. The UV-Vis and photoluminescent spectroscopy of the three decomposed product have been performed. (C) 2014 Published by Elsevier B.V.
• US5421897A
  申请人：——

  公开号：US5421897A

  公开（公告）日：1995-06-06
• The interplay of thiophilic and hydrogen bonding interactions in the supramolecular architecture of phenylmercury 4-hydroxypiperidine dithiocarbamate
  作者：Rajendra Prasad、Reena Yadav、Manoj Trivedi、Gabriele Kociok-Köhn、Abhinav Kumar

  DOI：10.1016/j.molstruc.2015.10.001

  日期：2016.1

  A new phenylmercury(II) dithiocarbamate complex [PhHg(S2CN(CH2)(4)CH(OH)], (1) has been synthesized and characterized by elemental analyses, IR, H-1 and C-13 NMR spectroscopy and X-ray crystallography. The crystal structure of 1 shows a linear arrangement at the Hg(II) centre of the molecule through bonding of the sulphur atom of the dithiocarbamate ligand and the carbon atom of the aromatic ring. Weak intermolecular thiophilic Hg center dot center dot center dot S interactions lead to a "head-to-tail" dimer and the presence of a hydroxyl group at the periphery of piperidine moiety generates a 1D-chain network through intermolecular O center dot center dot center dot H interactions. The nature of weak intra- and intermolecular Hg center dot center dot center dot S, H center dot center dot center dot S and intermolecular O center dot center dot center dot H interactions have been assessed with the help of ab initio calculations and atoms-in-molecules (AIM) approach. (C) 2015 Elsevier B.V. All rights reserved.
• New single-source precursor for bismuth sulfide and its use as low-cost counter electrode material for dye-sensitized solar cells
  作者：Ratna Chauhan、Jyotsna Chaturvedi、Manoj Trivedi、Jyoti Singh、Kieran C. Molloy、Gabriele Kociok-Köhn、Dinesh P. Amalnerkar、Abhinav Kumar

  DOI：10.1016/j.ica.2015.03.007

  日期：2015.5

  One new homoleptic [Bi(dtc)(3)] (1) (dtc = 4-hydroxypiperdine dithiocarbamate) has been synthesized and characterized by microanalysis, IR, UV-Vis, H-1 and C-13 spectroscopy and X-ray crystallography. The photoluminescence spectrum for the compound in DMSO solution was recorded. The crystal structure of 1 displayed distorted octahedral geometry around the Bi(III) center bonded through sulfur atoms of the dithiocarbamate ligands. TGA indicates that the compound decomposes to a Bi and Bi-S phase system. The Bi and Bi-S obtained from decomposition of the compound have been characterized by pXRD, EDAX and SEM. Solvothermal decomposition of 1 in the absence and presence of two different capping agents yielded three morphologically different Bi2S3 systems which were deployed as counter-electrode in dye-sensitized solar cells (DSSCs). (C) 2015 Elsevier B.V. All rights reserved.