[7-(2-Methyl-2-adamantyl)-1,3-benzodioxol-5-yl]-phenylmethanol | 1036406-40-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: [7-(2-Methyl-2-adamantyl)-1,3-benzodioxol-5-yl]-phenylmethanol
• CAS: 1036406-40-2
• 化学式: C₂₅H₂₈O₃
• 分子量: 376.496
• InChiKey: UWDWMKKRCYPJLZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  38.7
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• METHOD FOR PREPARTION OF SUBSTITUTED ADAMANTYLARYMAGNESIUM HALIDES
  申请人：Kalvinsh Ivars

  公开号：US20100113816A1

  公开（公告）日：2010-05-06

  The present invention concerns fine organic synthesis, particularly the method for preparing of substituted adamantylarylmagnesium halides. The known methods for preparing Grignard's reagent from substituted adamantylarylhalide give very low yeld of the desired product. Substituted adamantylarylhalides are active intermediates that by interacting with various electrophiles provide for a wide range of biologically active compounds. The aim of current invention was to develop a method for preparing substituted adamantylarylmagnesium halides. The aim was attained adding lithium chloride in the Grignard's reagent synthesis by acting on is magnesium metal in dry tetrahydrofuran under argon by substituted adamantylarylhalide. It was demonstrated that adding lithium chloride to adamantylarylhalide within a range from 1:1 to 1:2 provides for stable high yield of the desired end product.

  本发明涉及精细有机合成，特别是制备取代的金刚烷基芳基镁卤化物的方法。已知从取代的金刚烷基芳基卤化物制备格氏试剂的方法产生所需产品的收率非常低。取代的金刚烷基芳基卤化物是活性中间体，通过与各种亲电体相互作用，提供了广泛的生物活性化合物。本发明的目的是开发一种制备取代的金刚烷基芳基镁卤化物的方法。通过在干燥的四氢呋喃中作用于取代的金刚烷基芳基卤化物的格氏试剂合成中加入氯化锂，从而实现了这一目的。实验证明，在金刚烷基芳基卤化物中添加氯化锂，比例范围为1:1到1:2，可以提供稳定的高产率所需的最终产品。