1-(2,6-Difluoro-4,5-dimethoxyphenyl)-4,4-dimethyl-2-oxazoline | 172657-10-2

• 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: 1-(2,6-Difluoro-4,5-dimethoxyphenyl)-4,4-dimethyl-2-oxazoline
• 英文别名: 2-(2,6-difluoro-3,4-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole
• CAS: 172657-10-2
• 化学式: C₁₃H₁₅F₂NO₃
• 分子量: 271.264
• InChiKey: MNWRERNSYYCMKH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  40
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-(2,6-Difluoro-4,5-dimethoxyphenyl)-4,4-dimethyl-2-oxazoline 在 正丁基锂 、 N-氟代双苯磺酰胺 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 以57%的产率得到1-(3,4-Dimethoxy-2,5,6,-trifluorophenyl)-4,4-dimethyl-2-oxazoline
  参考文献：
  名称：

  Synthesis of fluoro- and polyfluoro-veratraldehydes by electrophilic fluorination

  摘要：

  Lithiation of oxazolines derived from fluorinated veratric acid, followed by electrophilic fluorination and subsequent reductive oxazoline cleavage, provides a convenient route to di- and tri-fluoroveratraldehydes. Similarly, 4-fluoroveratrol was converted by lithiation and fluorination to 3,4-difluoroveratrol, which can be used to prepare 5,6-difluoroveratraldehyde.

  DOI：

  10.1016/0022-1139(95)90108-t
• 作为产物：
  描述：

  3,4-二甲氧基苯甲酰氯 在 正丁基锂 、 氯化亚砜 、 N-氟代双苯磺酰胺 作用下， 以 四氢呋喃 、 正己烷 、 二氯甲烷 为溶剂， 反应 4.5h， 生成 1-(2,6-Difluoro-4,5-dimethoxyphenyl)-4,4-dimethyl-2-oxazoline
  参考文献：
  名称：

  Synthesis of fluoro- and polyfluoro-veratraldehydes by electrophilic fluorination

  摘要：

  Lithiation of oxazolines derived from fluorinated veratric acid, followed by electrophilic fluorination and subsequent reductive oxazoline cleavage, provides a convenient route to di- and tri-fluoroveratraldehydes. Similarly, 4-fluoroveratrol was converted by lithiation and fluorination to 3,4-difluoroveratrol, which can be used to prepare 5,6-difluoroveratraldehyde.

  DOI：

  10.1016/0022-1139(95)90108-t

文献信息

• Synthesis of fluoro- and polyfluoro-veratraldehydes by electrophilic fluorination
  作者：Jun-ying Nie、Kenneth L. Kirk

  DOI：10.1016/0022-1139(95)90108-t

  日期：1995.10

  Lithiation of oxazolines derived from fluorinated veratric acid, followed by electrophilic fluorination and subsequent reductive oxazoline cleavage, provides a convenient route to di- and tri-fluoroveratraldehydes. Similarly, 4-fluoroveratrol was converted by lithiation and fluorination to 3,4-difluoroveratrol, which can be used to prepare 5,6-difluoroveratraldehyde.