o-phthalic acid 1-ethyl ester 2-(2-oxo-2-phenylethyl) ester | 914930-45-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: o-phthalic acid 1-ethyl ester 2-(2-oxo-2-phenylethyl) ester
• 英文别名: 1-O-ethyl 2-O-phenacyl benzene-1,2-dicarboxylate
• CAS: 914930-45-3
• 化学式: C₁₈H₁₆O₅
• 分子量: 312.322
• InChiKey: PEAUPRLMDNGMGU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  23
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  69.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  o-phthalic acid 1-ethyl ester 2-(2-oxo-2-phenylethyl) ester 在 氢氧化钾 作用下， 以 N-甲基吡咯烷酮 为溶剂， 反应 3.5h， 以72%的产率得到3-benzoyl-4-hydroxyisochromen-1-one
  参考文献：
  名称：

  3-Benzoyl-4-hydroxyisochromen-1-one Derivatives, Their Synthesis and Synthetic Application

  摘要：

  3-Benzoyl-1,4-isochromandione derivatives were prepared by cyclization of phenacyl phthalates (2). The cyclization was done in the presence of N-methylpyrrolidone and potassium hydroxide. These compounds served as intermediates for the synthesis of more complicated isocoumarine derivatives. A Wittig reaction with (carbethoxymethylene)triphenyl phosphorane was conducted in a microwave reactor and resulted in the formation of substituted 4-phenylpyrano[3,2-c]isochromene-2,6-dione.

  DOI：

  10.3987/com-06-10757
• 作为产物：
  描述：

  邻苯二甲酸单乙酯 、 2-溴苯乙酮 在 三乙胺 作用下， 以 丙酮 为溶剂， 反应 3.0h， 以58%的产率得到o-phthalic acid 1-ethyl ester 2-(2-oxo-2-phenylethyl) ester
  参考文献：
  名称：

  3-Benzoyl-4-hydroxyisochromen-1-one Derivatives, Their Synthesis and Synthetic Application

  摘要：

  3-Benzoyl-1,4-isochromandione derivatives were prepared by cyclization of phenacyl phthalates (2). The cyclization was done in the presence of N-methylpyrrolidone and potassium hydroxide. These compounds served as intermediates for the synthesis of more complicated isocoumarine derivatives. A Wittig reaction with (carbethoxymethylene)triphenyl phosphorane was conducted in a microwave reactor and resulted in the formation of substituted 4-phenylpyrano[3,2-c]isochromene-2,6-dione.

  DOI：

  10.3987/com-06-10757

文献信息

• 3-Benzoyl-4-hydroxyisochromen-1-one Derivatives, Their Synthesis and Synthetic Application
  作者：Pavel Hradil、Radek Melnicky、Martin Grepl、Kamil Koristek、Jan Hlavac、Valerio Bertolasi

  DOI：10.3987/com-06-10757

  日期：——

  3-Benzoyl-1,4-isochromandione derivatives were prepared by cyclization of phenacyl phthalates (2). The cyclization was done in the presence of N-methylpyrrolidone and potassium hydroxide. These compounds served as intermediates for the synthesis of more complicated isocoumarine derivatives. A Wittig reaction with (carbethoxymethylene)triphenyl phosphorane was conducted in a microwave reactor and resulted in the formation of substituted 4-phenylpyrano[3,2-c]isochromene-2,6-dione.