Methyl 1'-oxo-3'-phenylspiro[1,3-dithiane-2,4'-2,3-dihydronaphthalene]-2'-carboxylate | 143357-60-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: Methyl 1'-oxo-3'-phenylspiro[1,3-dithiane-2,4'-2,3-dihydronaphthalene]-2'-carboxylate
• CAS: 143357-60-2
• 化学式: C₂₁H₂₀O₃S₂
• 分子量: 384.52
• InChiKey: GTQYSYGGMAEMJK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  94
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  methyl 2-(1,3-dithian-2-yl)benzoate 、 肉桂酸甲酯 在 lithium diisopropyl amide 作用下， 生成 Methyl 1'-oxo-3'-phenylspiro[1,3-dithiane-2,4'-2,3-dihydronaphthalene]-2'-carboxylate
  参考文献：
  名称：

  An improved annelation method with methyl2-(1,3-dithian-2-yl)benzoate as a bidentate synthon

  摘要：

  The use of methyl 2-(1,3-dithian-2-yl)benzoate as a member of a new group of bidentate synthons in an improved annelation method, yielding polycyclic systems with three differentiated carbonyl groups, is described.

  DOI：

  10.1016/s0040-4039(00)92535-8

文献信息

• An improved annelation method with methyl2-(1,3-dithian-2-yl)benzoate as a bidentate synthon
  作者：Ajana Wadi、Francisco López-Calahorra、Mercedes Alvarez、John A. Joule

  DOI：10.1016/s0040-4039(00)92535-8

  日期：1992.6

  The use of methyl 2-(1,3-dithian-2-yl)benzoate as a member of a new group of bidentate synthons in an improved annelation method, yielding polycyclic systems with three differentiated carbonyl groups, is described.