(+/-)-(1R,11S,12R,13S)-12,13-bis(1-methyl-2-phenylsulfanyl-1H-imidazol-5-yl)-3,9-dioxabicyclo[9.2.0]tridecane-2,10-dione | 940962-75-4

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: (+/-)-(1R,11S,12R,13S)-12,13-bis(1-methyl-2-phenylsulfanyl-1H-imidazol-5-yl)-3,9-dioxabicyclo[9.2.0]tridecane-2,10-dione
• 英文别名: (1R,11S,12R,13S)-12,13-bis(3-methyl-2-phenylsulfanylimidazol-4-yl)-3,9-dioxabicyclo[9.2.0]tridecane-2,10-dione
• CAS: 940962-75-4
• 化学式: C₃₁H₃₂N₄O₄S₂
• 分子量: 588.751
• InChiKey: CXQJHHNGVPAEEO-KNJLRNSFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  41
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  139
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  (+/-)-(1R,11S,12R,13S)-12,13-bis(1-methyl-2-phenylsulfanyl-1H-imidazol-5-yl)-3,9-dioxabicyclo[9.2.0]tridecane-2,10-dione 在 对甲苯磺酸 作用下， 以 乙醇 为溶剂， 反应 48.0h， 以91%的产率得到(+/-)-(1R,2S,3R,4S)-3,4-bis(1-methyl-2-phenylsulfanyl-1H-imidazol-5-yl)cyclobutane-1,2-dicarboxylic acid diethyl ester
  参考文献：
  名称：

  Regio- and Stereoselective Head-to-Head Photo[2+2]cycloaddition of 3-(1-Methyl-2-phenylsulfanyl-1H-imidazol-5-yl)propenoates

  摘要：

  Head-to-head photo[2+2]cycloaddition of 1, omega -di[3-(1-methyl-2-phenylsulfanyl-1H-imidazol-5-yl)propenoyloxy]alkylenes smoothly proceeded under irradiation of a high-pressure mercury lamp to give cyclobutane compounds regio- and stereoselectively. The stereochemistry of these cyclobutanes was determined as beta-form.

  DOI：

  10.3987/com-06-10964
• 作为产物：
  描述：

  3-(1-methyl-2-phenylsulfanyl-1H-imidazol-5-yl)acrylic acid 5-[3-(1-methyl-2-phenylsulfanyl-1H-imidazol5-yl)acryloyloxy]pentyl ester 以 乙腈 为溶剂， 反应 20.0h， 以52%的产率得到(+/-)-(1R,11S,12R,13S)-12,13-bis(1-methyl-2-phenylsulfanyl-1H-imidazol-5-yl)-3,9-dioxabicyclo[9.2.0]tridecane-2,10-dione
  参考文献：
  名称：

  Regio- and Stereoselective Head-to-Head Photo[2+2]cycloaddition of 3-(1-Methyl-2-phenylsulfanyl-1H-imidazol-5-yl)propenoates

  摘要：

  Head-to-head photo[2+2]cycloaddition of 1, omega -di[3-(1-methyl-2-phenylsulfanyl-1H-imidazol-5-yl)propenoyloxy]alkylenes smoothly proceeded under irradiation of a high-pressure mercury lamp to give cyclobutane compounds regio- and stereoselectively. The stereochemistry of these cyclobutanes was determined as beta-form.

  DOI：

  10.3987/com-06-10964