p-nitrophenyl-1-ethyl propionate | 1360607-60-8

• 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: p-nitrophenyl-1-ethyl propionate
• CAS: 1360607-60-8
• 化学式: C₁₁H₁₃NO₄
• 分子量: 223.229
• InChiKey: ORDCDOLKNGXLND-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.61
• 重原子数：
  16.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  69.44
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  p-nitrophenyl-1-ethyl propionate 在 phospholipase A₂ from the rattlesnake Crotalus durissus terrificus 、 三羟甲基氨基甲烷盐酸盐 、 sodium chloride 、 calcium chloride 作用下， 以 水 、 乙腈 为溶剂， 反应 96.0h， 生成 (S)-1-(4-nitrophenyl)ethyl propionate 、 (R)-1-(4-nitrophenyl)ethyl propionate 、 1-(4-硝基苯基)乙醇 、 (1R)-1-(4-nitrophenyl)ethanol
  参考文献：
  名称：

  Evaluation of snake venom phospholipase A2: hydrolysis of non-natural esters

  摘要：

  Phospholipase A(2) from the rattlesnake Crotalus durissus terrificus was employed for the first time to test its enantioseletivity on the hydrolysis of different non-natural esters. It was observed that the structure of this small enzyme is restrictive in the choice of its lipase action with non-natural substrates. Two forms of the enzyme were used; free and as its cross-linked enzyme aggregate (CLEA). With all substrates, the free enzyme showed activity similar to the CLEA preparation. The advantage of the CLEA phospholipase is the possibility to reuse it in several consecutive reactions without a decrease of activity and selectivity with good but higher yields and ee than with the free enzyme.

  DOI：

  10.1590/s0103-50532011000200016