[Fe2(CO)6(2-(2-methoxybenzyl)-2-methylpropane-1,3-dithiol(-2H))] | 1239982-44-5

• 英文名称: [Fe2(CO)6(2-(2-methoxybenzyl)-2-methylpropane-1,3-dithiol(-2H))]
• 英文别名: Fe2(μ-SCH2)CMe(CH2-o-C6H4OMe)(CO)6
• CAS: 1239982-44-5
• 化学式: C₁₈H₁₆Fe₂O₇S₂
• 分子量: 520.147
• InChiKey: JWFUAURDVRGLNC-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  [Fe2(CO)6(2-(2-methoxybenzyl)-2-methylpropane-1,3-dithiol(-2H))] 在 BBr₃ 作用下， 以 二氯甲烷 为溶剂， 生成 [Fe2(CO)6(2-(2-hydroxybenzyl)-2-methylpropane-1,3-dithiol(-2H))]
  参考文献：
  名称：

  A rare bond between a soft metal (FeI) and a relatively hard base (RO−, R = phenolic moiety)

  摘要：

  Reacting a bidentate ligand H2L, 2-(2-methoxybenzyl)-2-methylpropane-1,3-dithiol, with Fe-3(CO)(12) formed a diiron hexacarbonyl complex (1Me) from which a diiron hexacarbonyl complex (1H) pendant with a phenolic group was derived via in-situ demethylation. Further deprotonation of complex 1H gave a diiron pentacarbonyl species (1) in which a rare bond between the soft metal Fe-I and the relatively hard base phenolate formed, Fe-I-OR (R = phenolic moiety). This bonding may be a suitable mimic of the bonding feature, ((FeFeI)-Fe-I)R-OH/OH2 found in the FeFel-hydrogenase. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2010.06.026
• 作为产物：
  描述：

  十二羰基三铁 、 2-(2-methoxybenzyl)-2-methylpropane-1,3-dithiol 以 甲苯 为溶剂， 以85%的产率得到[Fe2(CO)6(2-(2-methoxybenzyl)-2-methylpropane-1,3-dithiol(-2H))]
  参考文献：
  名称：

  A rare bond between a soft metal (FeI) and a relatively hard base (RO−, R = phenolic moiety)

  摘要：

  Reacting a bidentate ligand H2L, 2-(2-methoxybenzyl)-2-methylpropane-1,3-dithiol, with Fe-3(CO)(12) formed a diiron hexacarbonyl complex (1Me) from which a diiron hexacarbonyl complex (1H) pendant with a phenolic group was derived via in-situ demethylation. Further deprotonation of complex 1H gave a diiron pentacarbonyl species (1) in which a rare bond between the soft metal Fe-I and the relatively hard base phenolate formed, Fe-I-OR (R = phenolic moiety). This bonding may be a suitable mimic of the bonding feature, ((FeFeI)-Fe-I)R-OH/OH2 found in the FeFel-hydrogenase. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2010.06.026