4-methyl-4-hydroxy-1,2-dithiolane | 1281812-88-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二硫杂环戊烷
• 英文名称: 4-methyl-4-hydroxy-1,2-dithiolane
• 英文别名: 4-Methyldithiolan-4-ol；4-methyldithiolan-4-ol
• CAS: 1281812-88-1
• 化学式: C₄H₈OS₂
• 分子量: 136.239
• InChiKey: QZKLYAGITPDEIQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  70.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  四氢呋喃 、 十二羰基三铁 、 4-methyl-4-hydroxy-1,2-dithiolane 以 四氢呋喃 为溶剂， 以16%的产率得到
  参考文献：
  名称：

  Hydroxy and ether functionalized dithiolanes: Models for the active site of the [FeFe] hydrogenase

  摘要：

  In attempt to synthesize suitable [FeFe] hydrogenase model complexes, 2-methoxypropane-1,3-dithiole and 4-methyl-4-hydroxy-1,2-dithiolane were reacted with Fe-3(CO)(12) to give the respective complexes [Fe-2(CO)(6)(H3COCH(CH2S)(2))] and [Fe-2(CO)(6)(HOC(CH3)(CH2S)(2))]. The compounds were characterized by H-1 and C-13 NMR spectroscopy, mass spectrometry and elemental analysis. In addition, their electrochemical properties were investigated by cyclic voltammetry and compared with that of [Fe-2(CO)(6)(HOC(CH2S)(2))] known from literature. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2010.09.048
• 作为产物：
  描述：

  α,α'-dibromo-tert-butyl alcohol 在 sodium hydrogen sulfide 作用下， 以 乙醇 为溶剂， 反应 2.0h， 生成 4-methyl-4-hydroxy-1,2-dithiolane
  参考文献：
  名称：

  Hydroxy and ether functionalized dithiolanes: Models for the active site of the [FeFe] hydrogenase

  摘要：

  In attempt to synthesize suitable [FeFe] hydrogenase model complexes, 2-methoxypropane-1,3-dithiole and 4-methyl-4-hydroxy-1,2-dithiolane were reacted with Fe-3(CO)(12) to give the respective complexes [Fe-2(CO)(6)(H3COCH(CH2S)(2))] and [Fe-2(CO)(6)(HOC(CH3)(CH2S)(2))]. The compounds were characterized by H-1 and C-13 NMR spectroscopy, mass spectrometry and elemental analysis. In addition, their electrochemical properties were investigated by cyclic voltammetry and compared with that of [Fe-2(CO)(6)(HOC(CH2S)(2))] known from literature. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2010.09.048

文献信息

• Hydroxy and ether functionalized dithiolanes: Models for the active site of the [FeFe] hydrogenase
  作者：Ulf-Peter Apfel、Christian R. Kowol、Florian Kloss、Helmar Görls、Bernhard K. Keppler、Wolfgang Weigand

  DOI：10.1016/j.jorganchem.2010.09.048

  日期：2011.3

  In attempt to synthesize suitable [FeFe] hydrogenase model complexes, 2-methoxypropane-1,3-dithiole and 4-methyl-4-hydroxy-1,2-dithiolane were reacted with Fe-3(CO)(12) to give the respective complexes [Fe-2(CO)(6)(H3COCH(CH2S)(2))] and [Fe-2(CO)(6)(HOC(CH3)(CH2S)(2))]. The compounds were characterized by H-1 and C-13 NMR spectroscopy, mass spectrometry and elemental analysis. In addition, their electrochemical properties were investigated by cyclic voltammetry and compared with that of [Fe-2(CO)(6)(HOC(CH2S)(2))] known from literature. (C) 2010 Elsevier B.V. All rights reserved.