2-甲氧基丙烷-1,3-二硫醇 | 89020-06-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-甲氧基丙烷-1,3-二硫醇
• 英文名称: 1,3-dimercapto-2-methoxypropane
• 英文别名: 2-methoxypropane-1,3-dithiol；1,3-dithio-2-methoxypropane
• CAS: 89020-06-4
• 化学式: C₄H₁₀OS₂
• 分子量: 138.255
• InChiKey: SQCIQKIGANBFOU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  7
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  11.2
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-甲氧基丙烷-1,3-二硫醇 、 十二羰基三铁 、 乙醚 以 甲苯 为溶剂， 以76%的产率得到Fe2(CO)6[2-methoxypropane-1,3-dithiol]*Et2O
  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：

  1,3-thioacetyl-2-methoxypropane 在 sodium hydroxide 、 盐酸 、 水 作用下， 以 甲醇 为溶剂， 反应 96.0h， 以31%的产率得到2-甲氧基丙烷-1,3-二硫醇
  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.