N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-(1,1,1-trifluoro-5-hydroxy-4-methylpentan-2-yl)benzamide | 1035554-95-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-(1,1,1-trifluoro-5-hydroxy-4-methylpentan-2-yl)benzamide
• CAS: 1035554-95-0
• 化学式: C₁₉H₂₉F₃N₂O₄
• 分子量: 406.445
• InChiKey: NUOVUQVHRWKFOU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  28
• 可旋转键数：
  13
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  93.8
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  N-(2-(2-(2-aminoethoxy)ethoxy)ethyl)-4-(3-(trifluoromethyl)-3H-diazirin-3-yl)benzamide trifluoroacetate 、 异丁醇 生成 N-(2-(2-(2-aminoethoxy)ethoxy)ethyl)-4-(2,2,2-trifluoro-1-isobutoxyethyl)benzamide 、 N-(2-(2-(2-aminoethoxy)ethoxy)ethyl)-4-(1,1,1-trifluoro-3-hydroxy-4-methylpentan-2-yl)benzamide 、 N-(2-(2-(2-aminoethoxy)ethoxy)ethyl)-4-(1,1,1-trifluoro-4-hydroxy-3,3-dimethylbutan-2-yl)benzamide 、 N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-(1,1,1-trifluoro-5-hydroxy-4-methylpentan-2-yl)benzamide
  参考文献：
  名称：

  Distribution of photo-cross-linked products from 3-aryl-3-trifluoromethyldiazirines and alcohols

  摘要：

  The photolysis of N-[4-(3-trifluoromethyl-3H-diazirin-3-yl)benzoyl]-2,2'-ethylenedioxybis(ethylamine) (1) in EtOH, PrOH, i-PrOH, BuOH, and i-BuOH was carried out in both solution (at room temperature) and solid phase (at -196 degrees C), and the resultant C-H and O-H insertion products were analyzed semi-quantitatively by LC/ESl-MS/MS. The carbene insertion reactions at low temperature produced all possible C-H and O-H insertion products in a relatively uniform distribution, which could not be accomplished by the solution-phase reaction. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.04.031

文献信息

• Distribution of photo-cross-linked products from 3-aryl-3-trifluoromethyldiazirines and alcohols
  作者：Naoki Kanoh、Takemichi Nakamura、Kaori Honda、Hiroyuki Yamakoshi、Yoshiharu Iwabuchi、Hiroyuki Osada

  DOI：10.1016/j.tet.2008.04.031

  日期：2008.6

  The photolysis of N-[4-(3-trifluoromethyl-3H-diazirin-3-yl)benzoyl]-2,2'-ethylenedioxybis(ethylamine) (1) in EtOH, PrOH, i-PrOH, BuOH, and i-BuOH was carried out in both solution (at room temperature) and solid phase (at -196 degrees C), and the resultant C-H and O-H insertion products were analyzed semi-quantitatively by LC/ESl-MS/MS. The carbene insertion reactions at low temperature produced all possible C-H and O-H insertion products in a relatively uniform distribution, which could not be accomplished by the solution-phase reaction. (C) 2008 Elsevier Ltd. All rights reserved.