2-dichloromethyl-2-(p-methyl)phenyl-1,3-dioxolane | 71194-04-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-dichloromethyl-2-(p-methyl)phenyl-1,3-dioxolane
• 英文别名: 2-dichloromethyl-2-p-tolyl-[1,3]dioxolane；2-Dichlormethyl-2-(4-methylphenyl)-1,3-dioxolan；2-(Dichloromethyl)-2-(4-methylphenyl)-1,3-dioxolane
• CAS: 71194-04-2
• 化学式: C₁₁H₁₂Cl₂O₂
• 分子量: 247.121
• InChiKey: XPADMFRNGFOCPX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  对甲基苯甲醛 在 苄基三乙基氯化铵 、 copper(II) sulfate 、 sodium sulfate 、 sodium hydroxide 作用下， 以 环己烷 、 水 为溶剂， 反应 0.4h， 生成 2-dichloromethyl-2-(p-methyl)phenyl-1,3-dioxolane
  参考文献：
  名称：

  Microwave-Assisted Synthesis and Crystal Structure of Novel 2-Dichloromethyl-1,3-dioxolanes

  摘要：

  An efficient synthesis of 2-dichloromethyl-1,3-dioxolane derivatives with microwave-assisted addition reaction was developed. The intermediate 1,3-dioxolanes 2 were obtained by exposing to microwave radiation with glycol at the present of anhydrous CuSO4. A series of novel 2-dichloromethyl-1,3-dioxolane derivatives 3 were synthesized by carbenes insertion of dioxolanes 2 and chloroform with TEBA used as phase transfer catalyst. The structures of the compounds were characterized by IR, H-1-NMR, C-13-NMR spectroscopy, and elemental analysis. The configuration of 3f was determined by X-ray crystallography.

  DOI：

  10.3987/com-12-12628