N,N,N',N'-Tetrabutyl-3,6-dithiaoctandiamid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N,N,N',N'-Tetrabutyl-3,6-dithiaoctandiamid
• 英文别名: N,N-Dibutyl-2-[2-(dibutylcarbamoylmethylthio)ethylthio]acetamide；N,N-dibutyl-2-[2-[2-(dibutylamino)-2-oxoethyl]sulfanylethylsulfanyl]acetamide
• 化学式: C₂₂H₄₄N₂O₂S₂
• 分子量: 432.736
• InChiKey: ILLYHUSJPUWLNE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  28
• 可旋转键数：
  19
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  91.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  uranyl nirate hexahydrate 、 N,N,N',N'-Tetrabutyl-3,6-dithiaoctandiamid 以 二氯甲烷 为溶剂， 以85%的产率得到
  参考文献：
  名称：

  Synthetic, structural, extraction and theoretical studies of uranyl nitrate dithio-diglycolamide compounds

  摘要：

  Dithio-diglycolamide ligands of the types [(CH2SCH2CONR2)(2)] (where R = (C3H7)-C-1, C4H9, (C4H9)-C-i, C8H17) and [C7H6(SCH2CONR2)(2)] (where R = (C4H9)-C-i) were prepared and characterized. The complex chemistry of these ligands with uranyl nitrate was studied using IR, NMR and ESI-MS techniques and elemental analysis. The structures for two of the compounds, 2 and 4, were determined by the X-ray diffraction method and revealed a bidentate chelating mode of bonding for the ligands in the solid state. The structures further show that the uranyl group is surrounded by six oxygen atoms in a hexagonal bi-pyramidal geometry. Theoretical studies were carried out to explain the relative stability of this chelating mode of ligand bonding. Extraction studies of U(VI), Pu(IV) and Am(III) ions from HNO3 by one of the ligands, namely L-4, in dodecane show appreciable extractions. The extracted metal ions could be back extracted quantitatively using 0.5 M HNO3 or a mixture of 0.5 M HNO3 and 0.5 M H2C2O4. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2014.03.015
• 作为产物：
  描述：

  2-氯-N,N-二丁基乙酰胺 、 1,2-乙二硫醇 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 反应 3.5h， 以82%的产率得到N,N,N',N'-Tetrabutyl-3,6-dithiaoctandiamid
  参考文献：
  名称：

  Synthetic, structural, extraction and theoretical studies of uranyl nitrate dithio-diglycolamide compounds

  摘要：

  Dithio-diglycolamide ligands of the types [(CH2SCH2CONR2)(2)] (where R = (C3H7)-C-1, C4H9, (C4H9)-C-i, C8H17) and [C7H6(SCH2CONR2)(2)] (where R = (C4H9)-C-i) were prepared and characterized. The complex chemistry of these ligands with uranyl nitrate was studied using IR, NMR and ESI-MS techniques and elemental analysis. The structures for two of the compounds, 2 and 4, were determined by the X-ray diffraction method and revealed a bidentate chelating mode of bonding for the ligands in the solid state. The structures further show that the uranyl group is surrounded by six oxygen atoms in a hexagonal bi-pyramidal geometry. Theoretical studies were carried out to explain the relative stability of this chelating mode of ligand bonding. Extraction studies of U(VI), Pu(IV) and Am(III) ions from HNO3 by one of the ligands, namely L-4, in dodecane show appreciable extractions. The extracted metal ions could be back extracted quantitatively using 0.5 M HNO3 or a mixture of 0.5 M HNO3 and 0.5 M H2C2O4. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2014.03.015

文献信息

• N,N,N?,N?-Tetrabutyl-3,6-dioxaoctan-dithioamid, Ionophor mit Selektivit�t f�r Cd2+
  作者：J�rg K. Schneider、Peter Hofstetter、Ern� Pretsch、Daniel Ammann、Wilhelm Simon

  DOI：10.1002/hlca.19800630121

  日期：1980.1.23

  N,N,N′,N′-Tetrabutyl-3,6-dioxaoctane-dithioamide, an Ionophore with Selectivity for Cd2+

  N，N，N'， N'-3,6-二氧八辛烷-二硫代四丁基，对Cd 2+具有选择性的离子载体
• Synthesis, structural and theoretical studies of dithiodiglycolamide compounds of palladium(<scp>ii</scp>)
  作者：Balgovind Vats、S. Kannan、Mahesh Sundararajan、Mukesh Kumar、M. G. B. Drew

  DOI：10.1039/c4dt03814b

  日期：——

  compounds were characterized by using IR, 1H NMR spectral techniques and CHN analyses. The structures of compounds 4, 5 and 7 have been determined by using X-ray diffraction methods. The structures show that the ligands bond through the thioether group to the metal centre in all compounds. They show further that the palladium(II) ion is surrounded by four atoms (two halogens and two thio groups in 4 and

  卤化钯（II）与二硫代二甘醇酰胺配体的反应产生了[PdX 2 L]类型的化合物（其中X = Cl，L =（CH 2 SCH 2 CON i Pr 2）2（1）； L =（CH 2 SCH 2 CON i Bu 2）2（2）; L =（CH 2 SCH 2 CONBu 2）2（3）; L = C 7 H 6（SCH 2 CON i Bu 2）2（4）; X = Br，L =（CH 2 SCH 2 CON i Bu 2）2（5）; X = I，L =（CH 2 SCH 2 CON i Bu 2）2（6）），而硝酸钯（II）产生类型为[PdL 2 ]（NO 3）2的化合物（其中L =（CH 2 SCH 2 CON i Pr 2）2（7）; L =（CH 2 SCH2 CON i Bu 2） 2（ 8））。所有化合物均通过IR， 1 H NMR光谱技术和CHN分析进行表征。化合物的结构4， 5和7
• Synthetic, structural, extraction and theoretical studies of uranyl nitrate dithio-diglycolamide compounds
  作者：B.G. Vats、S. Kannan、I.C. Pius、D.M. Noronha、D.K. Maity、M.G.B. Drew

  DOI：10.1016/j.poly.2014.03.015

  日期：2014.6

  Dithio-diglycolamide ligands of the types [(CH2SCH2CONR2)(2)] (where R = (C3H7)-C-1, C4H9, (C4H9)-C-i, C8H17) and [C7H6(SCH2CONR2)(2)] (where R = (C4H9)-C-i) were prepared and characterized. The complex chemistry of these ligands with uranyl nitrate was studied using IR, NMR and ESI-MS techniques and elemental analysis. The structures for two of the compounds, 2 and 4, were determined by the X-ray diffraction method and revealed a bidentate chelating mode of bonding for the ligands in the solid state. The structures further show that the uranyl group is surrounded by six oxygen atoms in a hexagonal bi-pyramidal geometry. Theoretical studies were carried out to explain the relative stability of this chelating mode of ligand bonding. Extraction studies of U(VI), Pu(IV) and Am(III) ions from HNO3 by one of the ligands, namely L-4, in dodecane show appreciable extractions. The extracted metal ions could be back extracted quantitatively using 0.5 M HNO3 or a mixture of 0.5 M HNO3 and 0.5 M H2C2O4. (C) 2014 Elsevier Ltd. All rights reserved.