5-羟基-5-苯甲酰戊酸 | 100118-17-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 5-羟基-5-苯甲酰戊酸
• 英文名称: 5-hydroxy-5-benzoylpentanoic acid
• 英文别名: 5-hydroxy-6-oxo-6-phenyl-hexanoic acid；5-Hydroxy-6-oxo-6-phenyl-hexansaeure；5-Hydroxy-6-oxo-6-phenylhexanoic acid；5-hydroxy-6-oxo-6-phenylhexanoic acid
• CAS: 100118-17-0
• 化学式: C₁₂H₁₄O₄
• 分子量: 222.241
• InChiKey: SCKYJACOOMKGAF-UHFFFAOYSA-N

物化性质

• 熔点：
  125-127 °C
• 沸点：
  426.8±35.0 °C(Predicted)
• 密度：
  1.238±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  6-benzoyltetrahydro-2H-pyran-2-one 生成 5-羟基-5-苯甲酰戊酸
  参考文献：
  名称：

  Surface photoreactions of 2-benzoylcyclopentanones: Silica gel surface as a possible field bringing out the latent reactivity of dispersed molecules

  摘要：

  Irradiation of 2-benzoyl- and 2-(p-methylbenzoyl)cyclopentanone (la and Ib), which have the lowest n,pi* excited states and showed no photoreactivities in inert solvents, neat or in the solid state, gave two types of products on a silica gel surface; one arose from the cleavage of the C-C bond a to the benzoyl group and the other arose from the cyclopentanone C-1-C-2 bond cleavage. Analysis of Langmuir adsorption isotherm of la by a non-linear least-squares method revealed that 7.9 x 10(-4) mot of 1a was spread as a monomolecular layer over 1 g of silica gel, The photoreactivity of 1a on the surface was very sensitive to the coverage; the efficiency of disappearance of la decreased monotonically from 100% at low coverages to zero at nearly 100% coverage. Close packing of molecules of 1 on the surface diminished the photoreactivity. A silica gel surface provided a possible dispersion field for bringing out the latent photoreactivity of 1.

  DOI：

  10.1002/(sici)1099-1395(199610)9:10<677::aid-poc838>3.0.co;2-n

文献信息

• 541. The relative stabilising influences of substituents on free alkyl radicals. Part V. Selective bromination by N-bromosuccinimide
  作者：R. L. Huang、Pearl Williams

  DOI：10.1039/jr9580002637

  日期：——
• Surface photoreactions of 2-benzoylcyclopentanones: Silica gel surface as a possible field bringing out the latent reactivity of dispersed molecules
  作者：Tadashi Hasegawa、Yoshihiro Imase、Manabu Imada、Kazushige Kumakura、Michikazu Yoshioka

  DOI：10.1002/(sici)1099-1395(199610)9:10<677::aid-poc838>3.0.co;2-n

  日期：1996.10

  Irradiation of 2-benzoyl- and 2-(p-methylbenzoyl)cyclopentanone (la and Ib), which have the lowest n,pi* excited states and showed no photoreactivities in inert solvents, neat or in the solid state, gave two types of products on a silica gel surface; one arose from the cleavage of the C-C bond a to the benzoyl group and the other arose from the cyclopentanone C-1-C-2 bond cleavage. Analysis of Langmuir adsorption isotherm of la by a non-linear least-squares method revealed that 7.9 x 10(-4) mot of 1a was spread as a monomolecular layer over 1 g of silica gel, The photoreactivity of 1a on the surface was very sensitive to the coverage; the efficiency of disappearance of la decreased monotonically from 100% at low coverages to zero at nearly 100% coverage. Close packing of molecules of 1 on the surface diminished the photoreactivity. A silica gel surface provided a possible dispersion field for bringing out the latent photoreactivity of 1.