3-methylmercapto-3'-oxomethylmercapto-1-(p-methoxyphenyl)-2-propen-1-one | 195199-51-0

• 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: 3-methylmercapto-3'-oxomethylmercapto-1-(p-methoxyphenyl)-2-propen-1-one
• 英文别名: (E)-1-(4-methoxyphenyl)-3-methylsulfanyl-3-methylsulfinylprop-2-en-1-one
• CAS: 195199-51-0
• 化学式: C₁₂H₁₄O₃S₂
• 分子量: 270.373
• InChiKey: CFTIKPRUMNEIRW-XYOKQWHBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  87.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-methylmercapto-3'-oxomethylmercapto-1-(p-methoxyphenyl)-2-propen-1-one 在 盐酸 作用下， 以 氘代氯仿 为溶剂， 反应 10.0h， 生成 (Z)-3-Methanesulfinyl-1-(4-methoxy-phenyl)-3-methylsulfanyl-propenone
  参考文献：
  名称：

  Yu, Chu-Yi; Wang, Li-Ben; Huang, Zhi-Tang, Anales de Quimica, 1997, vol. 93, # 3, p. 161 - 164

  摘要：

  DOI：
• 作为产物：
  描述：

  1-(4-甲氧基苯基)-3,3-二(甲硫基)-2-丙烯-1-酮 在 sodium periodate 作用下， 以 甲醇 为溶剂， 反应 72.0h， 以27%的产率得到3-methylmercapto-3'-oxomethylmercapto-1-(p-methoxyphenyl)-2-propen-1-one
  参考文献：
  名称：

  Novel dinuclear iron(0) complexes from α,β-unsaturated ketones β-positioned with sulfide and sulfoxide groups

  摘要：

  The reaction of Fe-2(CO)(9) with alpha,beta-unsaturated ketones analogues containing beta-positioned sulfoxide group 2a-2d afforded di-nuclear Fe(0) complexes 3a-3d and 5 which were characterized by IR, mass spectrometry, H-1 and C-13 NMR spectroscopy, the structures of 3a, 3c and 5 were established by X-ray diffraction analysis. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2003.12.015

文献信息

• Novel dinuclear iron(0) complexes from α,β-unsaturated ketones β-positioned with sulfide and sulfoxide groups
  作者：M.Carmen Ortega-Alfaro、Néstor Hernández、Ismael Cerna、José G López-Cortés、Elizabeth Gómez、Ruben A Toscano、Cecilio Alvarez-Toledano

  DOI：10.1016/j.jorganchem.2003.12.015

  日期：2004.3

  The reaction of Fe-2(CO)(9) with alpha,beta-unsaturated ketones analogues containing beta-positioned sulfoxide group 2a-2d afforded di-nuclear Fe(0) complexes 3a-3d and 5 which were characterized by IR, mass spectrometry, H-1 and C-13 NMR spectroscopy, the structures of 3a, 3c and 5 were established by X-ray diffraction analysis. (C) 2003 Elsevier B.V. All rights reserved.
• Yu, Chu-Yi; Wang, Li-Ben; Huang, Zhi-Tang, Anales de Quimica, 1997, vol. 93, # 3, p. 161 - 164
  作者：Yu, Chu-Yi、Wang, Li-Ben、Huang, Zhi-Tang、Hsu, Adam Chi-Tung

  DOI：——

  日期：——