Acetic acid 3-[3-(3-hydroxy-propyl)-phenyl]-propyl ester | 190841-26-0

• 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: Acetic acid 3-[3-(3-hydroxy-propyl)-phenyl]-propyl ester
• CAS: 190841-26-0
• 化学式: C₁₄H₂₀O₃
• 分子量: 236.311
• InChiKey: QLUAEZVWBXQFQT-UHFFFAOYSA-N

物化性质

• 沸点：
  370.7±30.0 °C(Predicted)
• 密度：
  1.064±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.11
• 重原子数：
  17.0
• 可旋转键数：
  7.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  46.53
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  methyl (2S,4S,5R,6R)-5-acetamido-4-acetyloxy-2-[(2R,3S,4S,5R,6S)-3,5-diacetyloxy-2-(acetyloxymethyl)-6-[(2R,3S,4R,5R)-2-(acetyloxymethyl)-6-chloro-5-(naphthalene-2-carbonylamino)-4-[(2S,3S,4R,5R,6S)-3,4,5-triacetyloxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxyoxan-4-yl]oxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate 、 Acetic acid 3-[3-(3-hydroxy-propyl)-phenyl]-propyl ester 在 tin(II) trifluoromethanesulfonate 、 MS 4 Angstroem 、 1,1,3,3-四甲基脲 作用下， 以 二氯甲烷 为溶剂， 以57%的产率得到
  参考文献：
  名称：

  Synthesis and inhibitory effects of bivalent sialyl lewis X analogs at preventing cell adhesion

  摘要：

  Several sialyl Lewis X (SLeX) dimers attached to symmetric linkers, 1,3-di(omega-hydroxyalkyl)benzene, 1,3-di(omega-hydroxyalkoxy)benzene, and 1,3-di(omega-hydroxyalkoxy)cyclohexane, were synthesized and evaluated for their inhibitory activity against adhesion of HL-60 cells to recombinant soluble E-selectin. The SLeX dimers showed 4 to 6-fold higher inhibitory activity than the corresponding monomers. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00156-x
• 作为产物：
  描述：

  3-(3-(2-carboxyethyl)phenyl)propanoic acid 在 dimethyl sulfide borane 、 硫酸 作用下， 以 四氢呋喃 、 水 为溶剂， 生成 Acetic acid 3-[3-(3-hydroxy-propyl)-phenyl]-propyl ester
  参考文献：
  名称：

  Synthesis and inhibitory effects of bivalent sialyl lewis X analogs at preventing cell adhesion

  摘要：

  Several sialyl Lewis X (SLeX) dimers attached to symmetric linkers, 1,3-di(omega-hydroxyalkyl)benzene, 1,3-di(omega-hydroxyalkoxy)benzene, and 1,3-di(omega-hydroxyalkoxy)cyclohexane, were synthesized and evaluated for their inhibitory activity against adhesion of HL-60 cells to recombinant soluble E-selectin. The SLeX dimers showed 4 to 6-fold higher inhibitory activity than the corresponding monomers. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00156-x