5-Acetoxy-2-chloro-2-methylpentane | 179026-83-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 5-Acetoxy-2-chloro-2-methylpentane
• 英文别名: acetic acid-(4-chloro-4-methyl-pentyl ester)；Essigsaeure-(4-chlor-4-methyl-pentylester)
• CAS: 179026-83-6
• 化学式: C₈H₁₅ClO₂
• 分子量: 178.659
• InChiKey: OBZSOKAKVRHPNW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.35
• 重原子数：
  11.0
• 可旋转键数：
  4.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  5-Acetoxy-2-chloro-2-methylpentane 在 氢氧化钾 、 manganese(II) sulfate 、 potassium permanganate 、 adogen 464 、 硫酸 、 三氯化铁 、 溶剂黄146 作用下， 以 乙醚 、 二氯甲烷 、 二乙二醇 为溶剂， 反应 0.66h， 生成 Methyl 4-[4-[9-[4-(5-methoxy-2-methyl-5-oxopentan-2-yl)phenyl]-2,9-dimethyldecan-2-yl]phenyl]-4-methylpentanoate
  参考文献：
  名称：

  Conformational study of the higher [n.n]paracylophanes: evaluation as potential hosts for molecular halogens and benzenes

  摘要：

  A fundamental study of the conformations of [7.7]-, [8.8]-, [9.9]-, [11.11]- and octamethyl[8.8]-paracyclophanes in the solid state shows that the [odd,odd] members of the series possess parallel, symmetrically disposed benzene rings. A new genre of inclusion phenomenon based on donor-halogen EDA interactions is also defined and the potential of cyclophanes to act as hosts both in this capacity and to benzenes is discussed.

  DOI：

  10.1039/p19960001141
• 作为产物：
  描述：

  O-Acetyl-2-methylpentane-2,5-diol 在 氯化亚砜 作用下， 以87%的产率得到5-Acetoxy-2-chloro-2-methylpentane
  参考文献：
  名称：

  Conformational study of the higher [n.n]paracylophanes: evaluation as potential hosts for molecular halogens and benzenes

  摘要：

  A fundamental study of the conformations of [7.7]-, [8.8]-, [9.9]-, [11.11]- and octamethyl[8.8]-paracyclophanes in the solid state shows that the [odd,odd] members of the series possess parallel, symmetrically disposed benzene rings. A new genre of inclusion phenomenon based on donor-halogen EDA interactions is also defined and the potential of cyclophanes to act as hosts both in this capacity and to benzenes is discussed.

  DOI：

  10.1039/p19960001141

文献信息

• Henry, Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1906, vol. 143, p. 1224
  作者：Henry

  DOI：——

  日期：——
• Conformational study of the higher [n.n]paracylophanes: evaluation as potential hosts for molecular halogens and benzenes
  作者：Mark Mascal、Jean-Luc Kerdelhué、Andrei S. Batsanov、Michael J. Begley

  DOI：10.1039/p19960001141

  日期：——

  A fundamental study of the conformations of [7.7]-, [8.8]-, [9.9]-, [11.11]- and octamethyl[8.8]-paracyclophanes in the solid state shows that the [odd,odd] members of the series possess parallel, symmetrically disposed benzene rings. A new genre of inclusion phenomenon based on donor-halogen EDA interactions is also defined and the potential of cyclophanes to act as hosts both in this capacity and to benzenes is discussed.