2-氯-1-(4,4-二甲基-4,5-二氢-1,3-恶唑-2-基)-1-丙酮 | 134254-65-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑啉类
• 中文名称: 2-氯-1-(4,4-二甲基-4,5-二氢-1,3-恶唑-2-基)-1-丙酮
• 英文名称: 2-Chloro-1-(4,4-dimethyl-4,5-dihydro-oxazol-2-yl)-propan-1-one
• 英文别名: 1-Propanone, 2-chloro-1-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-；2-chloro-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-1-one
• CAS: 134254-65-2
• 化学式: C₈H₁₂ClNO₂
• 分子量: 189.642
• InChiKey: AXWILTPWVJTBBG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  38.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-(2-Chloro-3-methyl-oxiranyl)-4,4-dimethyl-4,5-dihydro-oxazole 在 zinc(II) chloride 作用下， 以 乙醚 为溶剂， 生成 2-氯-1-(4,4-二甲基-4,5-二氢-1,3-恶唑-2-基)-1-丙酮
  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

文献信息

• Selective synthesis of 2-chloro-2,3-epoxy-2-oxazolines and isomeric 3-chloro-2-oxo-2-oxazolines
  作者：Jean Claude Combret、Abdelhamid Meghni、Didier Postaire、Jacques Tekin

  DOI：10.1016/s0040-4039(00)71225-1

  日期：1991.1

  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.