methoxymethyl 6-hydroxy-2-naphthoate | 124650-97-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: methoxymethyl 6-hydroxy-2-naphthoate
• 英文别名: Methoxymethyl 6-hydroxynaphthalene-2-carboxylate
• CAS: 124650-97-1
• 化学式: C₁₃H₁₂O₄
• 分子量: 232.236
• InChiKey: VLMGNOUCMBSGDF-UHFFFAOYSA-N

物化性质

• 沸点：
  423.9±25.0 °C(Predicted)
• 密度：
  1.270±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methoxymethyl 6-hydroxy-2-naphthoate 在 盐酸 、 4-二甲氨基吡啶 、 氯化亚砜 、 三乙胺 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 、 丙酮 为溶剂， 反应 22.5h， 生成
  参考文献：
  名称：

  Kinetic studies and modeling of a self-replicating system

  摘要：

  The design, synthesis, and study of a molecular template, 11a, that catalyzes its own formation from simpler components, 9 and 10d, is described. Autocatalysis is shown by the following: (1) the increase in rate of reaction of 9 and 10d in the presence of lla; (2) the reduction in rate of reaction in the presence of 2,6-bis(acetylamino)pyridine inhibitor; and (3) the reduction in rate of reaction when a component incapable of template behavior, 10h, is substituted for 10d. Three kinetic pathways are elucidated: (1) the background bimolecular reaction (eq 6); (2) the preassociative mechanism (eq 7); and (3) the template termolecular process (eq 8). A kinetic model for the replication process is introduced, and equilibrium and rate constants are determined. Predictions for the shapes of the product growth curves are made.

  DOI：

  10.1021/ja00023a036
• 作为产物：
  描述：

  methoxymethyl 6-acetoxy-2-naphthoate 在 碳酸氢钠 作用下， 以 甲醇 、 水 为溶剂， 反应 6.0h， 以97%的产率得到methoxymethyl 6-hydroxy-2-naphthoate
  参考文献：
  名称：

  Kinetic studies and modeling of a self-replicating system

  摘要：

  The design, synthesis, and study of a molecular template, 11a, that catalyzes its own formation from simpler components, 9 and 10d, is described. Autocatalysis is shown by the following: (1) the increase in rate of reaction of 9 and 10d in the presence of lla; (2) the reduction in rate of reaction in the presence of 2,6-bis(acetylamino)pyridine inhibitor; and (3) the reduction in rate of reaction when a component incapable of template behavior, 10h, is substituted for 10d. Three kinetic pathways are elucidated: (1) the background bimolecular reaction (eq 6); (2) the preassociative mechanism (eq 7); and (3) the template termolecular process (eq 8). A kinetic model for the replication process is introduced, and equilibrium and rate constants are determined. Predictions for the shapes of the product growth curves are made.

  DOI：

  10.1021/ja00023a036