bis(3-(perfluoro-t-butyloxy)propyl)carboxyhydrazide | 1032734-01-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: bis(3-(perfluoro-t-butyloxy)propyl)carboxyhydrazide
• 英文别名: 3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropyl N-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropoxycarbonylamino]carbamate
• CAS: 1032734-01-2
• 化学式: C₁₆H₁₄F₁₈N₂O₆
• 分子量: 672.268
• InChiKey: XKYNYVSHAKLEPL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  42
• 可旋转键数：
  12
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  95.1
• 氢给体数：
  2
• 氢受体数：
  24

反应信息

• 作为反应物：
  描述：

  bis(3-(perfluoro-t-butyloxy)propyl)carboxyhydrazide 在 吡啶 、 溴 作用下， 以 三氟甲苯 为溶剂， 反应 3.0h， 以100%的产率得到bis(3-(perfluoro-t-butyloxy)propyl)diazodicarboxylate
  参考文献：
  名称：

  Second-Generation Tags for Fluorous Chemistry Exemplified with a New Fluorous Mitsunobu Reagent

  摘要：

  A new fluorous DEAD reagent bearing two perfluoro-tert-butyloxy groups with propylene spacers shows excellent promise for use in fluorous Mitsunobu reactions. Pure target products were obtained in good yields after removing fluorous byproducts by FSPE. The new reagent serves as a prototype for a greener second generation of fluorous reagents bearing tags that are not expected to degrade in the environment to compounds that are highly persistent or that bioaccumulate in higher organisms.

  DOI：

  10.1021/ol800750q
• 作为产物：
  描述：

  C₁₁H₉F₉N₂O₃ 在 盐酸肼 、 三乙胺 作用下， 以 三氟甲苯 为溶剂， 以2.3 g的产率得到bis(3-(perfluoro-t-butyloxy)propyl)carboxyhydrazide
  参考文献：
  名称：

  Second-Generation Tags for Fluorous Chemistry Exemplified with a New Fluorous Mitsunobu Reagent

  摘要：

  A new fluorous DEAD reagent bearing two perfluoro-tert-butyloxy groups with propylene spacers shows excellent promise for use in fluorous Mitsunobu reactions. Pure target products were obtained in good yields after removing fluorous byproducts by FSPE. The new reagent serves as a prototype for a greener second generation of fluorous reagents bearing tags that are not expected to degrade in the environment to compounds that are highly persistent or that bioaccumulate in higher organisms.

  DOI：

  10.1021/ol800750q