but-3-ynyl 4-aminobenzoate | 1273316-73-6

• 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: but-3-ynyl 4-aminobenzoate
• CAS: 1273316-73-6
• 化学式: C₁₁H₁₁NO₂
• 分子量: 189.214
• InChiKey: VSCIRRWNKOSZLV-UHFFFAOYSA-N

物化性质

• 沸点：
  345.4±22.0 °C(Predicted)
• 密度：
  1.161±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  对氨基苯甲酸 、 3-丁炔-1-醇 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以65%的产率得到but-3-ynyl 4-aminobenzoate
  参考文献：
  名称：

  Synthesis and characterization of bioactive molecules grafted on poly(ɛ-caprolactone) by “click” chemistry

  摘要：

  A facile and efficient strategy to graft bioactive molecules (nicotinic acid, p-aminobenzoic acid, and phthaloyltryptophan) onto poly(epsilon-caprolactone) (P(epsilon CL)) was achieved by copper-catalyzed Huisgen's 1,3-dipolar cycloaddition known as click reaction. P(alpha Cl epsilon CL), with 10, 20, and 30% of alpha-chloro-epsilon-caprolactone (alpha Cl epsilon CL) units were copolymerized by ring opening polymerization using epsilon CL and alpha Cl epsilon CL as starting materials in the presence of 1,4-butanediol and Sn(Oct)(2). Subsequently, the chloride pendent was converted to azide followed by cycloaddition with terminal alkyne derivatives of the aforementioned bioactive molecules. The complete addition was accomplished at all ratios. The characteristic molecular features of these copolymers were evaluated by FTIR, NMR, and GPC. Thermal analysis data indicated that the grafted compounds led to polymorphic alteration and different pattern of thermal degradation depending on the molecular structure and the size of the grafted compounds. They are the basis for further development of grafted copolymer as drug delivery carriers. Crown Copyright (C) 2010 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.polymer.2010.03.034