2-(1-Hydroxy-cycloheptyl)-tetrahydro-furan-2-carboxylic acid | 145439-65-2

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 2-(1-Hydroxy-cycloheptyl)-tetrahydro-furan-2-carboxylic acid
• 英文别名: 2-(1-hydroxycycloheptyl)oxolane-2-carboxylic acid
• CAS: 145439-65-2
• 化学式: C₁₂H₂₀O₄
• 分子量: 228.288
• InChiKey: MONAWBMFIMIALR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.71
• 重原子数：
  16.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  66.76
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2-(1-Hydroxy-cycloheptyl)-tetrahydro-furan-2-carboxylic acid 在 氧代氯化钨 Proton Sponge 作用下， 反应 24.0h， 以50%的产率得到2-Cycloheptylidene-tetrahydro-furan
  参考文献：
  名称：

  The preparation of (α-alkylidene)tetrahydrofurans by tungsten catalyzed decarboxylation of aldol precursors

  摘要：

  A series of substituted (alpha-alkylidene)tetrahydrofurans was prepared by tungsten catalyzed reaction of substituted hydroxyfuroic acids. These reactions likely involve beta-lactone intermediates which decarboxylate under the reaction conditions, and rates for olefin synthesis correlated with donor properties of substituents at C(4).

  DOI：

  10.1016/s0040-4039(00)61775-6
• 作为产物：
  描述：

  2-四氢呋喃甲酸 、 环庚酮 在 lithium diisopropyl amide 作用下， 生成 2-(1-Hydroxy-cycloheptyl)-tetrahydro-furan-2-carboxylic acid
  参考文献：
  名称：

  The preparation of (α-alkylidene)tetrahydrofurans by tungsten catalyzed decarboxylation of aldol precursors

  摘要：

  A series of substituted (alpha-alkylidene)tetrahydrofurans was prepared by tungsten catalyzed reaction of substituted hydroxyfuroic acids. These reactions likely involve beta-lactone intermediates which decarboxylate under the reaction conditions, and rates for olefin synthesis correlated with donor properties of substituents at C(4).

  DOI：

  10.1016/s0040-4039(00)61775-6