piperonyl 4-fluorodithiobenzoate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: piperonyl 4-fluorodithiobenzoate
• 英文别名: 1,3-Benzodioxol-5-ylmethyl 4-fluorobenzenecarbodithioate；1,3-benzodioxol-5-ylmethyl 4-fluorobenzenecarbodithioate
• 化学式: C₁₅H₁₁FO₂S₂
• 分子量: 306.382
• InChiKey: MESWOYNAHAWVNX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  75.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  piperonyl 4-fluorodithiobenzoate 、 3,4-dimethoxybenzenecarbodithioic acid benzyl ester 在 偶氮二异丁腈 作用下， 以 甲苯 为溶剂， 反应 5.0h， 以63 mg的产率得到benzyl 4-fluorodithiobenzoate
  参考文献：
  名称：

  Heterobivalent Library Expansion by “Living Radical” Processes:  Thiocarbonyl Addition/Elimination, and Nitroxide-Based Reactions with Fluorous Deconvolution

  摘要：

  Degenerate radical addition fragmentation and nitroxide fragmentation reactions are applied to the expansion of heterobivalent libraries without contamination from homobivalent species. Deconvolution by means of a fluorous tagging process is described.

  DOI：

  10.1021/ja0756321
• 作为产物：
  描述：

  胡椒醇 、 对氟苯甲酸 在 劳森试剂 作用下， 以 甲苯 为溶剂， 反应 48.0h， 生成 piperonyl 4-fluorodithiobenzoate
  参考文献：
  名称：

  Heterobivalent Library Expansion by “Living Radical” Processes:  Thiocarbonyl Addition/Elimination, and Nitroxide-Based Reactions with Fluorous Deconvolution

  摘要：

  Degenerate radical addition fragmentation and nitroxide fragmentation reactions are applied to the expansion of heterobivalent libraries without contamination from homobivalent species. Deconvolution by means of a fluorous tagging process is described.

  DOI：

  10.1021/ja0756321

文献信息

• Heterobivalent Library Expansion by “Living Radical” Processes:  Thiocarbonyl Addition/Elimination, and Nitroxide-Based Reactions with Fluorous Deconvolution
  作者：David Crich、Daniel Grant、Albert A. Bowers

  DOI：10.1021/ja0756321

  日期：2007.10.1

  Degenerate radical addition fragmentation and nitroxide fragmentation reactions are applied to the expansion of heterobivalent libraries without contamination from homobivalent species. Deconvolution by means of a fluorous tagging process is described.