2-(4-Methoxycinnamoyl)-indan-1,3-dion | 15548-25-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: 2-(4-Methoxycinnamoyl)-indan-1,3-dion
• 英文别名: 2-(4-Methoxycinnamoyl)-1,3-indandion；1H-Indene-1,3(2H)-dione, 2-[3-(4-methoxyphenyl)-1-oxo-2-propenyl]-；2-[3-(4-methoxyphenyl)prop-2-enoyl]indene-1,3-dione
• CAS: 15548-25-1
• 化学式: C₁₉H₁₄O₄
• 分子量: 306.318
• InChiKey: VOIZQEJFNCFGNP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  60.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(4-Methoxycinnamoyl)-indan-1,3-dion 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  Zacharova-Kalavska,D. et al., Collection of Czechoslovak Chemical Communications, 1973, vol. 38, p. 892 - 896

  摘要：

  DOI：
• 作为产物：
  描述：

  4-甲氧基苯甲醛 、 2-乙基-1,3-氢化茚二酮 以 吡啶 为溶剂， 生成 2-(4-Methoxycinnamoyl)-indan-1,3-dion
  参考文献：
  名称：

  Zacharova-Kalavska,D. et al., Collection of Czechoslovak Chemical Communications, 1973, vol. 38, p. 892 - 896

  摘要：

  DOI：

文献信息

• Afsah,E. et al., Zeitschrift fur Naturforschung, Teil B: Anorganische Chemie, Organische Chemie, 1979, vol. 34, p. 502 - 506
  作者：Afsah,E. et al.

  DOI：——

  日期：——
• Synthesis of 2,4-disubstituted 2,3-dihydro-1H-1,5-benzodiazepines of the 1,3-indanedione series
  作者：N. N. Magdesieva、N. G. Chovnikova

  DOI：10.1007/bf00472393

  日期：1989.3
• Synthesis pharmacological evaluation and docking studies of pyrimidine derivatives
  作者：D. Giles、Karki Roopa、F.R. Sheeba、P.M. Gurubasavarajaswamy、Goli Divakar、Thomas Vidhya

  DOI：10.1016/j.ejmech.2012.09.050

  日期：2012.12

  A new group of pyrimidine derivatives of indane-1,3-dione were synthesized aiming at the synthesis of new compounds acting as analgesic, anti-inflammatory and antimicrobial activity in a single component. The title compounds (3a-l) were synthesized from chalcone derivatives of indane-1,3-dione (2a-l) through cyclization reaction with urea. The synthesized compounds were characterized by FT-IR, H-1 NMR, mass spectral data, elemental analysis and evaluated for anti-inflammatory, analgesic, antibacterial and antifungal activities. The most active compound 3e, was evaluated for its ulcerogenicity. Good anti-inflammatory property was observed for chlorophenyl substituted pyrimidine derivatives. It mainly binds with Pro 218 of 1CX2, and the ligand could have caused much conformational changes in the protein structure than other derivatives. It also exhibits good analgesic and antimicrobial agent in a single component. (C) 2012 Elsevier Masson SAS. All rights reserved.
• Zacharova-Kalavska,D. et al., Collection of Czechoslovak Chemical Communications, 1973, vol. 38, p. 892 - 896
  作者：Zacharova-Kalavska,D. et al.

  DOI：——

  日期：——