2-[diethoxy(oxido)phosphaniumyl]-N-(1,3-dihydroxypropan-2-yl)-2,2-difluoroethanethioamide | 409328-53-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机膦酸及其衍生物
• 英文名称: 2-[diethoxy(oxido)phosphaniumyl]-N-(1,3-dihydroxypropan-2-yl)-2,2-difluoroethanethioamide
• CAS: 409328-53-6
• 化学式: C₉H₁₈F₂NO₅PS
• 分子量: 321.282
• InChiKey: TZCXMGLZSSFBJI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  19
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  126
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  N-3-benzoylthymine 、 2-[diethoxy(oxido)phosphaniumyl]-N-(1,3-dihydroxypropan-2-yl)-2,2-difluoroethanethioamide 在 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 为溶剂， 反应 96.0h， 生成
  参考文献：
  名称：

  Synthesis of Thiazolines Linked to a Difluoromethylphosphonate Diester via Dithioester Chemistry

  摘要：

  A two-step, high-yielding synthesis of Delta(2)-thiazolines containing a difluoromethylphosphonate diester moiety has been devised using a building block approach. Racemic or chiral beta-amino alcohols and diols were coupled with methyl difluoro(diethoxyphosphono)dithioacetate to give predominantly the corresponding beta-hydroxythioamides, which were then cyclized to provide a series of novel substituted Delta(2)-thiazolines.

  DOI：

  10.1021/ol025544f
• 作为产物：
  描述：

  二氟甲基膦酸二乙酯 在 正丁基锂 、 二异丙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 16.5h， 生成 2-[diethoxy(oxido)phosphaniumyl]-N-(1,3-dihydroxypropan-2-yl)-2,2-difluoroethanethioamide
  参考文献：
  名称：

  Synthesis of Thiazolines Linked to a Difluoromethylphosphonate Diester via Dithioester Chemistry

  摘要：

  A two-step, high-yielding synthesis of Delta(2)-thiazolines containing a difluoromethylphosphonate diester moiety has been devised using a building block approach. Racemic or chiral beta-amino alcohols and diols were coupled with methyl difluoro(diethoxyphosphono)dithioacetate to give predominantly the corresponding beta-hydroxythioamides, which were then cyclized to provide a series of novel substituted Delta(2)-thiazolines.

  DOI：

  10.1021/ol025544f

文献信息

• Synthesis of Thiazolines Linked to a Difluoromethylphosphonate Diester via Dithioester Chemistry
  作者：Emmanuel Pfund、Thierry Lequeux、Serge Masson、Michel Vazeux

  DOI：10.1021/ol025544f

  日期：2002.3.1

  A two-step, high-yielding synthesis of Delta(2)-thiazolines containing a difluoromethylphosphonate diester moiety has been devised using a building block approach. Racemic or chiral beta-amino alcohols and diols were coupled with methyl difluoro(diethoxyphosphono)dithioacetate to give predominantly the corresponding beta-hydroxythioamides, which were then cyclized to provide a series of novel substituted Delta(2)-thiazolines.