2-(2-methoxybenzyl)-2-methylpropane-1,3-dithiol | 1239982-46-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(2-methoxybenzyl)-2-methylpropane-1,3-dithiol
• 英文别名: 2-[(2-Methoxyphenyl)methyl]-2-methylpropane-1,3-dithiol；2-[(2-methoxyphenyl)methyl]-2-methylpropane-1,3-dithiol
• CAS: 1239982-46-7
• 化学式: C₁₂H₁₈OS₂
• 分子量: 242.406
• InChiKey: AJPANSXQIJEHGQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 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：

  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
• 作为产物：
  描述：

  1-methoxy-2-(2-methyl-3-thiocyanato-2-(thiocyanatomethyl)propyl)benzene 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 生成 2-(2-methoxybenzyl)-2-methylpropane-1,3-dithiol
  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

文献信息

• A rare bond between a soft metal (FeI) and a relatively hard base (RO−, R = phenolic moiety)
  作者：Wei Zhong、Ying Tang、Giuseppe Zampella、Xiufeng Wang、Xinlei Yang、Bin Hu、Jiang Wang、Zhiyin Xiao、Zhenhong Wei、Huanwen Chen、Luca De Gioia、Xiaoming Liu

  DOI：10.1016/j.inoche.2010.06.026

  日期：2010.9

  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.