丁烷-2-基氧基二硫代甲酸钠 | 36551-21-0

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 中文名称: 丁烷-2-基氧基二硫代甲酸钠
• 英文名称: potassium O-(1-methylpropyl) carbonodithioate
• 英文别名: Sodium O-sec-butyl dithiocarbonate；sodium;butan-2-yloxymethanedithioate
• CAS: 36551-21-0
• 化学式: C₅H₉OS₂*Na
• 分子量: 172.248
• InChiKey: LRHOHFCSKBRDFH-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.36
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  42.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  copper(ll) sulfate pentahydrate 、 丁烷-2-基氧基二硫代甲酸钠 以 甲醇 、 水 为溶剂， 生成 (2-butyl-dithiocarbonato)copper(I)
  参考文献：
  名称：

  使用停流技术对铜（II）离子与一些二硫代碳酸盐反应的动力学研究

  摘要：

  摘要 水混合原位形成的双(R-二硫代碳酸酯)铜(II)配合物(R=Me, Et, i -Pr, i -Bu, 2-Bu, Oct)的自氧化还原反应动力学使用停流分光光度法研究了 Cu(II) 盐和相应的配体碱金属盐的醇溶液。发现： (i) 由于所研究的复合物，在 425 nm 处的最大吸光度在 Cu(II)/配体比 = 1:2 时达到；(ii) Cu(II) 还原为 Cu(I) 遵循关于双螯合物的二级反应动力学；(iii) 测得的速率常数随着远程配体取代基尺寸的增加而降低；(iv) 速率常数取决于溶剂中醇的类型和浓度。

  DOI：

  10.1016/s1387-7003(02)00675-5
• 作为产物：
  描述：

  二硫化碳 、 仲丁醇 在 potassium hydroxide 作用下， 反应 1.0h， 生成 丁烷-2-基氧基二硫代甲酸钠
  参考文献：
  名称：

  UnexpectedRitterReaction During Acid-Promoted 1,3-Dithiol-2-one Formation

  摘要：

  AbstractA series of aryl‐substituted 1,3‐dithiol‐2‐ones was prepared by the BhattacharyaHortmann cyclization method. Unexpectedly, a Ritter reaction occurred during the acid‐catalyzed cyclization at the cyano group of the aryl substituents and 1,3‐dithiol‐2‐ones bearing a carboxy or a carboxamide group could be selectively obtained (see 1 and 2a in Scheme 1). The formation of the acid or the amide functionality was temperature‐dependent so that the one or the other group could be introduced selectively by modifying the reaction temperature.

  DOI：

  10.1002/hlca.201200311

文献信息

• Copper(II) and Nickel(II) Alkylxanthate Complexes (R = C₂H₅, i-C₃H₇, i-C₄H₉, s-C₄H₉, and C₅H₁₁): EPR and Solid-State¹³C CP/MAS NMR Studies
  作者：A. V. Ivanov、O. A. Bredyuk、O. N. Antzutkin、W. Forsling

  DOI：10.1023/b:ruco.0000034788.80316.d5

  日期：2004.7

  Alkylxanthate complexes of the general formula [MS(S)COR}(2)] (M = Ni, Cu-63, and Cu-65; R C2H5, i-C3H7, i-C4H9, s-C4H9, and C5H11) were synthesized and studied by EPR and high-resolution solid-state C-13 CP/MAS NMR. In the copper(II) complexes stabilized in the matrix of nickel(II) compounds, square planar chromophores [CuS4] are characterized by rhombic distortion (EPR data). Experimental EPR spectra were simulated at the second order of perturbation theory. Nickel(II) complexes were characterized by C-13 NMR spectra. In all cases, the -OC(S)S- groups were found to exhibit intramolecular structural equivalence.
• Unexpected<i>Ritter</i>Reaction During Acid-Promoted 1,3-Dithiol-2-one Formation
  作者：Frédéric Dumur、Cédric R. Mayer

  DOI：10.1002/hlca.201200311

  日期：2013.5

  AbstractA series of aryl‐substituted 1,3‐dithiol‐2‐ones was prepared by the BhattacharyaHortmann cyclization method. Unexpectedly, a Ritter reaction occurred during the acid‐catalyzed cyclization at the cyano group of the aryl substituents and 1,3‐dithiol‐2‐ones bearing a carboxy or a carboxamide group could be selectively obtained (see 1 and 2a in Scheme 1). The formation of the acid or the amide functionality was temperature‐dependent so that the one or the other group could be introduced selectively by modifying the reaction temperature.
• Kinetic studies on the reaction between copper(II) ions and some dithiocarbonates using stopped-flow technique
  作者：N.D. Yordanov、V. Gancheva、B. Mladenova、G. Grampp

  DOI：10.1016/s1387-7003(02)00675-5

  日期：2003.1

  the self-redox reaction of bis(R-dithiocarbonato)copper(II) complexes (R=Me, Et, i -Pr, i -Bu, 2-Bu, Oct) formed in situ by the mixing of water/alcohol solutions of Cu(II) salts and the corresponding alkali salts of the ligands are studied using stopped-flow spectrophotometric technique. It was found that: (i) maximal absorbance at 425 nm due to the studied complex is reached at Cu(II)/ligand ratio=1:2;

  摘要 水混合原位形成的双(R-二硫代碳酸酯)铜(II)配合物(R=Me, Et, i -Pr, i -Bu, 2-Bu, Oct)的自氧化还原反应动力学使用停流分光光度法研究了 Cu(II) 盐和相应的配体碱金属盐的醇溶液。发现： (i) 由于所研究的复合物，在 425 nm 处的最大吸光度在 Cu(II)/配体比 = 1:2 时达到；(ii) Cu(II) 还原为 Cu(I) 遵循关于双螯合物的二级反应动力学；(iii) 测得的速率常数随着远程配体取代基尺寸的增加而降低；(iv) 速率常数取决于溶剂中醇的类型和浓度。