4-[3,5-dimethyl-4-(4-nitrobenzyloxy)phenyl]-N-(dodecyl)-4-oxobutyramide

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-[3,5-dimethyl-4-(4-nitrobenzyloxy)phenyl]-N-(dodecyl)-4-oxobutyramide
• 英文别名: 4-[3,5-dimethyl-4-[(4-nitrophenyl)methoxy]phenyl]-N-dodecyl-4-oxobutanamide
• 化学式: C₃₁H₄₄N₂O₅
• 分子量: 524.701
• InChiKey: LVICJCHDKLJSOG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  38
• 可旋转键数：
  18
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-(4-甲氧基-3,5-二甲基苯基)-4-氧代丁酸 在 sodium hydroxide 、 三溴化硼 、 potassium carbonate 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 36.0h， 生成 4-[3,5-dimethyl-4-(4-nitrobenzyloxy)phenyl]-N-(dodecyl)-4-oxobutyramide
  参考文献：
  名称：

  Photocleavable Molecule for Laser Desorption Ionization Mass Spectrometry

  摘要：

  A new photocleavable molecule for laser desorption ionization mass spectrometry (LDI-MS) was designed and synthesized. The molecule exhibited high sensitivity for negative mode MS detection with good chemical stability. The molecule was successfully applied to molecular tag for (LDI-MS). Kinetic measurement of the amidation reaction and monitoring of aminolysis of acetylated sugars were demonstrated with the molecular tag.

  DOI：

  10.1021/jo070621b

文献信息

• Photocleavable Molecule for Laser Desorption Ionization Mass Spectrometry
  作者：Toshihide Maki、Koji Ishida

  DOI：10.1021/jo070621b

  日期：2007.8.1

  A new photocleavable molecule for laser desorption ionization mass spectrometry (LDI-MS) was designed and synthesized. The molecule exhibited high sensitivity for negative mode MS detection with good chemical stability. The molecule was successfully applied to molecular tag for (LDI-MS). Kinetic measurement of the amidation reaction and monitoring of aminolysis of acetylated sugars were demonstrated with the molecular tag.