1-(3-(bis-(2-perfluorohexylethyl)methoxy)propyl)-3-isopropylurea | 956895-92-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 英文名称: 1-(3-(bis-(2-perfluorohexylethyl)methoxy)propyl)-3-isopropylurea
• 英文别名: 1-[3-(1,1,1,2,2,3,3,4,4,5,5,6,6,12,12,13,13,14,14,15,15,16,16,17,17,17-Hexacosafluoroheptadecan-9-yloxy)propyl]-3-propan-2-ylurea；1-[3-(1,1,1,2,2,3,3,4,4,5,5,6,6,12,12,13,13,14,14,15,15,16,16,17,17,17-hexacosafluoroheptadecan-9-yloxy)propyl]-3-propan-2-ylurea
• CAS: 956895-92-4
• 化学式: C₂₄H₂₄F₂₆N₂O₂
• 分子量: 866.425
• InChiKey: QQFOMEZMWFVSFS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.8
• 重原子数：
  54
• 可旋转键数：
  20
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  50.4
• 氢给体数：
  2
• 氢受体数：
  28

反应信息

• 作为反应物：
  描述：

  1-(3-(bis-(2-perfluorohexylethyl)methoxy)propyl)-3-isopropylurea 在 溴 、 三乙胺 、 三苯基膦 作用下， 以 二氯甲烷 为溶剂， 以93%的产率得到3-bis(2-perfluorohexylethyl)methoxy-N-((isopropylimino)methylene)propan-1-amine
  参考文献：
  名称：

  Amide Bond Formation with a New Fluorous Carbodiimide:  Separation by Reverse Fluorous Solid-Phase Extraction

  摘要：

  A new fluorous carbodiimide is introduced along with a convenient procedure for amide coupling reactions. Reactions of acids and amines under standard conditions for carbodiimide couplings, followed by simple reverse fluorous solid-phase extraction (FSPE) over standard silica gel, provide the target amide products in good yields and purities. The use of HFE-7100 as a fluorous solvent is crucial for the success of the reverse FSPE.

  DOI：

  10.1021/ol701631m
• 作为产物：
  描述：

  2-(3-(bis-(2-perfluorohexylethyl)methoxy)propyl)isoindole-1,3-dione 在 一水合肼 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 48.5h， 生成 1-(3-(bis-(2-perfluorohexylethyl)methoxy)propyl)-3-isopropylurea
  参考文献：
  名称：

  Amide Bond Formation with a New Fluorous Carbodiimide:  Separation by Reverse Fluorous Solid-Phase Extraction

  摘要：

  A new fluorous carbodiimide is introduced along with a convenient procedure for amide coupling reactions. Reactions of acids and amines under standard conditions for carbodiimide couplings, followed by simple reverse fluorous solid-phase extraction (FSPE) over standard silica gel, provide the target amide products in good yields and purities. The use of HFE-7100 as a fluorous solvent is crucial for the success of the reverse FSPE.

  DOI：

  10.1021/ol701631m

文献信息

• Amide Bond Formation with a New Fluorous Carbodiimide:  Separation by Reverse Fluorous Solid-Phase Extraction
  作者：Carlos del Pozo、Adam I. Keller、Tadamichi Nagashima、Dennis P. Curran

  DOI：10.1021/ol701631m

  日期：2007.10.1

  A new fluorous carbodiimide is introduced along with a convenient procedure for amide coupling reactions. Reactions of acids and amines under standard conditions for carbodiimide couplings, followed by simple reverse fluorous solid-phase extraction (FSPE) over standard silica gel, provide the target amide products in good yields and purities. The use of HFE-7100 as a fluorous solvent is crucial for the success of the reverse FSPE.