12-aminododecyl benzoate | 1262145-13-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 12-aminododecyl benzoate
• CAS: 1262145-13-0
• 化学式: C₁₉H₃₁NO₂
• 分子量: 305.461
• InChiKey: AAYISNXIQUPWNK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  22.0
• 可旋转键数：
  13.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  52.32
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  苯甲酸甲酯 、 12-氨基-1-十二烷醇 在 lanthanum(III) isopropoxide 、 二乙二醇单甲醚 作用下， 以 正己烷 为溶剂， 以87%的产率得到12-aminododecyl benzoate
  参考文献：
  名称：

  Ligand-Assisted Rate Acceleration in Lanthanum(III) Isopropoxide Catalyzed Transesterification of Carboxylic Esters

  摘要：

  The transesterification of an equimolar mixture of carboxylic esters and primary (1 degrees), secondary (2 degrees), and tertiary (3 degrees) alcohols in hydrocarbon solvents was promoted with high efficiency by a lanthanum(III) complex, which was prepared in situ from lanthanum(III) isopropoxide (1 mol %) and 2-(2-methoxyethoxy)ethanol(2 mol %). The present La(III) catalyst was highly effective for the chemoselective transesterification in the presence of competitive 1 degrees- and 2 degrees-amines. Remarkably, esters were obtained in good to excellent yields as colorless materials without an inconvenient workup procedure.

  DOI：

  10.1021/ol102753n