O-ethyl [1-(4-chlorophenyl)-5-(6-fluoropyridin-2-yl)oxy-1-oxononan-4-yl]sulfanylmethanethioate | 1040738-20-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: O-ethyl [1-(4-chlorophenyl)-5-(6-fluoropyridin-2-yl)oxy-1-oxononan-4-yl]sulfanylmethanethioate
• CAS: 1040738-20-2
• 化学式: C₂₃H₂₇ClFNO₃S₂
• 分子量: 484.056
• InChiKey: ORXSDEMNWGIZTJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.6
• 重原子数：
  31
• 可旋转键数：
  14
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  106
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  O-ethyl [1-(4-chlorophenyl)-5-(6-fluoropyridin-2-yl)oxy-1-oxononan-4-yl]sulfanylmethanethioate 在 二叔丁基过氧化物 作用下， 以 氯苯 为溶剂， 以88%的产率得到
  参考文献：
  名称：

  Allylic Alcohols as Radical Allylating Agents. An Overall Olefination of Aldehydes and Ketones

  摘要：

  2-Fluoroyridynl derivatives of allylic alcohols react with xanthates in the presence of lauroyl peroxide to give alkenes, often with high stereoselectivity. If the allylic alcohols are themselves derived from aldehydes or ketones, the overall process becomes a synthetic equivalent of the classical Witting and related olefination reactions.

  DOI：

  10.1021/ja802899m
• 作为产物：
  描述：

  2-fluoro-6-(hept-1-en-3-yloxy)pyridine 、 O-ethyl S-2-(4-chlorophenyl)-2-oxoethyl carbonodithioate 在 过氧化双月桂酰 作用下， 以 1,2-二氯乙烷 为溶剂， 以76%的产率得到O-ethyl [1-(4-chlorophenyl)-5-(6-fluoropyridin-2-yl)oxy-1-oxononan-4-yl]sulfanylmethanethioate
  参考文献：
  名称：

  Allylic Alcohols as Radical Allylating Agents. An Overall Olefination of Aldehydes and Ketones

  摘要：

  2-Fluoroyridynl derivatives of allylic alcohols react with xanthates in the presence of lauroyl peroxide to give alkenes, often with high stereoselectivity. If the allylic alcohols are themselves derived from aldehydes or ketones, the overall process becomes a synthetic equivalent of the classical Witting and related olefination reactions.

  DOI：

  10.1021/ja802899m