(p-Nitrophenyl-1-phenyl-3-oxo-3-propylthio)-2-essigsaeureethylester | 55483-99-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: (p-Nitrophenyl-1-phenyl-3-oxo-3-propylthio)-2-essigsaeureethylester
• 英文别名: Acetic acid, [[1-(4-nitrophenyl)-3-oxo-3-phenylpropyl]thio]-, ethyl ester；ethyl 2-[1-(4-nitrophenyl)-3-oxo-3-phenylpropyl]sulfanylacetate
• CAS: 55483-99-3
• 化学式: C₁₉H₁₉NO₅S
• 分子量: 373.43
• InChiKey: BCKXSXNRBLATFZ-UHFFFAOYSA-N

物化性质

• 熔点：
  59 °C
• 沸点：
  540.7±50.0 °C(Predicted)
• 密度：
  1.269±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  26
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  115
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  (E)-3-(4-nitrophenyl)-1-phenylprop-2-en-1-one 、 巯基乙酸乙酯 在 fluorapatite 作用下， 以 甲醇 为溶剂， 反应 1.0h， 以93%的产率得到(p-Nitrophenyl-1-phenyl-3-oxo-3-propylthio)-2-essigsaeureethylester
  参考文献：
  名称：

  Fluorapatite: efficient catalyst for the Michael addition

  摘要：

  A Michael addition assisted by fluorapatite in heterogeneous media is described. Reaction between mercaptans and chalcone derivatives was studied at room temperature in methanol as solvent. By-products of usual undesirable reactions in Michael addition such as 1,2-addition, bis-addition and polymerisation are not observed. The yields obtained are good to excellent. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)00323-x

文献信息

• Robert, J. F.; Xicluna, A.; Ombetta, J. E., Bulletin de la Societe Chimique de France, 1992, # 5, p. 478 - 485
  作者：Robert, J. F.、Xicluna, A.、Ombetta, J. E.、Alhassan, M.、Mercier, M. F.、et al.

  DOI：——

  日期：——
• XICLUNA ALAIN; GUINCHARD CHRISTIANE; ROBERT JEAN-FRANGOIS; PANOUSE JACQUE+, C. R. ACAD. SCI.<CHDC-AQ>, 1975, C280, NO 5, 287-290
  作者：XICLUNA ALAIN、 GUINCHARD CHRISTIANE、 ROBERT JEAN-FRANGOIS、 PANOUSE JACQUE+

  DOI：——

  日期：——
• Fluorapatite: efficient catalyst for the Michael addition
  作者：Mohamed Zahouily、Younes Abrouki、Ahmed Rayadh、Saı̈d Sebti、Hamid Dhimane、Marc David

  DOI：10.1016/s0040-4039(03)00323-x

  日期：2003.3

  A Michael addition assisted by fluorapatite in heterogeneous media is described. Reaction between mercaptans and chalcone derivatives was studied at room temperature in methanol as solvent. By-products of usual undesirable reactions in Michael addition such as 1,2-addition, bis-addition and polymerisation are not observed. The yields obtained are good to excellent. (C) 2003 Elsevier Science Ltd. All rights reserved.