2'-(hexanoyloxy)biphenyl-2-yl hexanoate | 124106-05-4

• 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: 2'-(hexanoyloxy)biphenyl-2-yl hexanoate
• 英文别名: 2,2'-Bis-hexanoyloxy-biphenyl；[2-(2-Hexanoyloxyphenyl)phenyl] hexanoate
• CAS: 124106-05-4
• 化学式: C₂₄H₃₀O₄
• 分子量: 382.5
• InChiKey: BZBVRUQMCVAVGB-UHFFFAOYSA-N

物化性质

• 沸点：
  216-220 °C(Press: 2 Torr)
• 密度：
  1.056±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  28
• 可旋转键数：
  13
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2,2'-二羟基联苯 、 己酸 在 titanium(IV) oxide bis(2,4-pentanedionate) 作用下， 以 xylene 为溶剂， 反应 100.0h， 以91%的产率得到2'-(hexanoyloxy)biphenyl-2-yl hexanoate
  参考文献：
  名称：

  Direct Atom-Efficient Esterification between Carboxylic Acids and Alcohols Catalyzed by Amphoteric, Water-Tolerant TiO(acac)₂

  摘要：

  [GRAPHIC]A diverse array of oxometallic species were examined as catalysts for a test direct condensation of benzoic acid and 2-phenylethanol in 1:1 stoichiometry. Besides group IVB MOCl2-xH(2)O and TiOX2-xH(2)O, group VB VOCl2-xTHF and group IVB TiO(acac)(2) were found to be the most efficient and water-tolerant catalysts for the test reaction. The new neutral catalytic protocol with the optimal TiO(acac)2 tolerates many stereo/electronic structural variations in both (di)acid (1 degrees-3 degrees alkyl and aryl) and (di)alcohol (1 degrees, 2 degrees alkyl, and aryl) components with high chemoselectivity.

  DOI：

  10.1021/jo051337s

文献信息

• DE908496
  申请人：——

  公开号：——

  公开（公告）日：——
• Direct Atom-Efficient Esterification between Carboxylic Acids and Alcohols Catalyzed by Amphoteric, Water-Tolerant TiO(acac)₂
  作者：Chien-Tien Chen、Yogesh S. Munot

  DOI：10.1021/jo051337s

  日期：2005.10.1

  [GRAPHIC]A diverse array of oxometallic species were examined as catalysts for a test direct condensation of benzoic acid and 2-phenylethanol in 1:1 stoichiometry. Besides group IVB MOCl2-xH(2)O and TiOX2-xH(2)O, group VB VOCl2-xTHF and group IVB TiO(acac)(2) were found to be the most efficient and water-tolerant catalysts for the test reaction. The new neutral catalytic protocol with the optimal TiO(acac)2 tolerates many stereo/electronic structural variations in both (di)acid (1 degrees-3 degrees alkyl and aryl) and (di)alcohol (1 degrees, 2 degrees alkyl, and aryl) components with high chemoselectivity.