(E)-3-(2-Methoxy-phenyl)-1-(3-nitro-phenyl)-propenone | 82613-33-0

• 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: (E)-3-(2-Methoxy-phenyl)-1-(3-nitro-phenyl)-propenone
• 英文别名: 3-(2-Methoxyphenyl)-1-(3-nitrophenyl)prop-2-en-1-one；3-(2-methoxyphenyl)-1-(3-nitrophenyl)prop-2-en-1-one
• CAS: 82613-33-0
• 化学式: C₁₆H₁₃NO₄
• 分子量: 283.284
• InChiKey: JITMOHYMUMTQBM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  72.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-苯甲酰甲基溴吡啶 、 (E)-3-(2-Methoxy-phenyl)-1-(3-nitro-phenyl)-propenone 在 ammonium acetate 作用下， 生成 4-(2-Methoxy-phenyl)-2-(3-nitro-phenyl)-6-phenyl-pyridine
  参考文献：
  名称：

  Malik, Saroj; Tewari, R. S.; Srivastava, N., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1982, vol. 21, p. 242 - 243

  摘要：

  DOI：
• 作为试剂：
  描述：

  nitroblue tetrazolium chloride 在 乙二胺四乙酸 、 (E)-3-(2-Methoxy-phenyl)-1-(3-nitro-phenyl)-propenone 、 DL-蛋氨酸 、 riboflavin 作用下， 以 乙醇 为溶剂， 反应 0.17h， 生成 nitroblue tetrazolium diformazan
  参考文献：
  名称：

  Synthesis, antioxidant evaluation, and quantitative structure–activity relationship studies of chalcones

  摘要：

  Synthesis, antioxidant activity, and quantitative structure-activity relationship (QSAR) of 25 of chalcone derivatives is reported here. They were synthesized by Claisen-Schmidt reaction and were characterized by FTIR, NMR, and mass spectroscopy. Antioxidant activity is evaluated through four different methods namely, superoxide radical-scavenging, hydrogen peroxide scavenging, reducing power, and DPPH radical-scavenging assays. Generally, compounds with -SCH3 and -OCH3 in the para position of the A-ring and -OH in the B-ring were more active than others. In few cases some of the compounds were more active than ascorbic acid or butylated hydroxytoluene. QSAR was developed correlating the antioxidant activity with the structural features of the compounds and the predictive capability of the models was estimated using internal and external validation methods. All the predictions were within the 99% confidence level. Spatial, structural, and lipophilic properties of the compounds determine their antioxidant properties.

  DOI：

  10.1007/s00044-010-9342-1

文献信息

• Malik, Saroj; Tewari, R. S.; Srivastava, N., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1982, vol. 21, p. 242 - 243
  作者：Malik, Saroj、Tewari, R. S.、Srivastava, N.、Nigam, R. K.、Gupta, K. C.

  DOI：——

  日期：——