2-(2-Chloro-3-isopropyl-oxiranyl)-4,4-dimethyl-4,5-dihydro-oxazole | 134254-63-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑啉类
• 英文名称: 2-(2-Chloro-3-isopropyl-oxiranyl)-4,4-dimethyl-4,5-dihydro-oxazole
• 英文别名: 2-(2-chloro-3-propan-2-yloxiran-2-yl)-4,4-dimethyl-5H-1,3-oxazole
• CAS: 134254-63-0
• 化学式: C₁₀H₁₆ClNO₂
• 分子量: 217.696
• InChiKey: WYSOBYSVJCCDTA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(2-Chloro-3-isopropyl-oxiranyl)-4,4-dimethyl-4,5-dihydro-oxazole 在 zinc(II) chloride 作用下， 以 乙醚 为溶剂， 生成 2-Chloro-1-(4,4-dimethyl-4,5-dihydro-oxazol-2-yl)-3-methyl-butan-1-one
  参考文献：
  名称：

  Selective synthesis of 2-chloro-2,3-epoxy-2-oxazolines and isomeric 3-chloro-2-oxo-2-oxazolines

  摘要：

  The reaction of 2-dichloromethyl-4, 4-dimethyl-2-oxazoline with carbonyl compounds in basic media has been investigated. Phase transfer catalysis allows fast and selective formation of 2-chloro-2, 3-epoxy-2-oxazolines (with aliphatic aldehydes) or 3-chloro-2-oxo-2-oxazolines (mainly with ketones) in high yields.

  DOI：

  10.1016/s0040-4039(00)71225-1
• 作为产物：
  描述：

  2-dichloromethyl-4,4-dimethyl-4,5-dihydrooxazole 、 异丁醛 在 sodium hydroxide 、 苄基三丁基氯化铵 作用下， 以 二氯甲烷 为溶剂， 反应 0.25h， 以95%的产率得到2-(2-Chloro-3-isopropyl-oxiranyl)-4,4-dimethyl-4,5-dihydro-oxazole
  参考文献：
  名称：

  Selective synthesis of 2-chloro-2,3-epoxy-2-oxazolines and isomeric 3-chloro-2-oxo-2-oxazolines

  摘要：

  The reaction of 2-dichloromethyl-4, 4-dimethyl-2-oxazoline with carbonyl compounds in basic media has been investigated. Phase transfer catalysis allows fast and selective formation of 2-chloro-2, 3-epoxy-2-oxazolines (with aliphatic aldehydes) or 3-chloro-2-oxo-2-oxazolines (mainly with ketones) in high yields.

  DOI：

  10.1016/s0040-4039(00)71225-1