4b,9b-dihydroxy-7,8-dihydro-4bH-indeno[1,2-b]benzofuran-9,10(6H,9bH)-dione | 374918-82-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: 4b,9b-dihydroxy-7,8-dihydro-4bH-indeno[1,2-b]benzofuran-9,10(6H,9bH)-dione
• 英文别名: 4b,9b-dihydroxy-7,8-dihydro-6H-indeno[1,2-b]benzofuran-9,10-dione；4b,9b-dihydroxy-7,8-dihydro-6H-indeno[1,2-b][1]benzofuran-9,10-dione
• CAS: 374918-82-8
• 化学式: C₁₅H₁₂O₅
• 分子量: 272.257
• InChiKey: RQRSZYHVVUHFRF-UHFFFAOYSA-N

物化性质

• 沸点：
  489.9±45.0 °C(Predicted)
• 密度：
  1.60±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  20
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  83.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  水合茚三酮 、 1,3-环己二酮 在 溶剂黄146 作用下， 反应 0.25h， 以100%的产率得到4b,9b-dihydroxy-7,8-dihydro-4bH-indeno[1,2-b]benzofuran-9,10(6H,9bH)-dione
  参考文献：
  名称：

  Synthesis, characterization, antimicrobial and enzymatic activity of 4b,9b-dihydroxy-7,8-dihydro-4bH-indeno[1,2-b]benzofuran-9,10(6H,9bH)-dione

  摘要：

  The crystal structure of the title compound, 4b,9b-dihydroxy-7,8-dihydro-4bH-indeno[1,2-b]benzofuran-9,10(6H,9bH)-dione has been determined by single crystal X-ray diffraction. It crystallizes in the monoclinic space group P2(1)/c with Z = 4. The FTIR as well as the H-1 and C-13 NMR spectra of the compound were also recorded and briefly discussed. The compound showed potential antimicrobial activity comparable to that of clinically used antimicrobial agents against selected microorganisms. It has selective and moderate inhibitory activity on butyryl cholinesterase enzyme and could serve as potential lead compound for synthesis of more bioactive derivatives. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2011.09.026

文献信息

• Synthesis, characterization, antimicrobial and enzymatic activity of 4b,9b-dihydroxy-7,8-dihydro-4bH-indeno[1,2-b]benzofuran-9,10(6H,9bH)-dione
  作者：Sayed Hasan Mehdi、Rokiah Hashim、Raza Murad Ghalib、M. Fátima C. Guedes da Silva、Othman Sulaiman、Syed Ziaur Rahman、Vikneswaran Murugaiyah、Mani Maran Marimuthu

  DOI：10.1016/j.molstruc.2011.09.026

  日期：2011.12

  The crystal structure of the title compound, 4b,9b-dihydroxy-7,8-dihydro-4bH-indeno[1,2-b]benzofuran-9,10(6H,9bH)-dione has been determined by single crystal X-ray diffraction. It crystallizes in the monoclinic space group P2(1)/c with Z = 4. The FTIR as well as the H-1 and C-13 NMR spectra of the compound were also recorded and briefly discussed. The compound showed potential antimicrobial activity comparable to that of clinically used antimicrobial agents against selected microorganisms. It has selective and moderate inhibitory activity on butyryl cholinesterase enzyme and could serve as potential lead compound for synthesis of more bioactive derivatives. (C) 2011 Elsevier B.V. All rights reserved.