2-(Benzoyloxy)benzenepropanoyl chloride | 59725-62-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: 2-(Benzoyloxy)benzenepropanoyl chloride
• 英文别名: [2-(3-chloro-3-oxopropyl)phenyl] benzoate
• CAS: 59725-62-1
• 化学式: C₁₆H₁₃ClO₃
• 分子量: 288.73
• InChiKey: GKORPEFRJXMDHF-UHFFFAOYSA-N

物化性质

• 沸点：
  459.3±38.0 °C(Predicted)
• 密度：
  1.251±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(Benzoyloxy)benzenepropanoyl chloride 在 盐酸 、 sodium hydroxide 、 三氯化铝 、 亚硝酸丁酯 、 苄基三甲基氯化铵 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 反应 10.0h， 生成 4-methoxy-2-oximino-1-indanone
  参考文献：
  名称：

  Synthesis and dopaminergic activity of (R)- and (S)-4-hydroxy-2-(di-n-propylamino)indan

  摘要：

  A synthetic precursor to a potent dopaminergic agonist, (RS)-4-hydroxy-2-(di-n-propylamino)indan, has been resolved by classical recrystallization procedures, and the absolute configurations of the enantiomers have been established by X-ray crystallographic analysis. The enantiomers were converted by literature procedures into (R)- and (S)-1. (R)-1 was approximately 100 times as potent as (S)-1 in an assay for dopamine agonist effect in the isolated cat atrium.

  DOI：

  10.1021/jm00382a024
• 作为产物：
  描述：

  氢化肉桂酸内酯 在 sodium hydroxide 、 氯化亚砜 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 生成 2-(Benzoyloxy)benzenepropanoyl chloride
  参考文献：
  名称：

  Synthesis and dopaminergic activity of (R)- and (S)-4-hydroxy-2-(di-n-propylamino)indan

  摘要：

  A synthetic precursor to a potent dopaminergic agonist, (RS)-4-hydroxy-2-(di-n-propylamino)indan, has been resolved by classical recrystallization procedures, and the absolute configurations of the enantiomers have been established by X-ray crystallographic analysis. The enantiomers were converted by literature procedures into (R)- and (S)-1. (R)-1 was approximately 100 times as potent as (S)-1 in an assay for dopamine agonist effect in the isolated cat atrium.

  DOI：

  10.1021/jm00382a024