4b,9b-Dihydroxy-6-methyl-4b,9b-dihydro-5-oxa-indeno[2,1-a]inden-10-one | 326012-53-7

• 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-6-methyl-4b,9b-dihydro-5-oxa-indeno[2,1-a]inden-10-one
• 英文别名: 4b,9b-Dihydroxy-6-methylindeno[1,2-b][1]benzofuran-10-one
• CAS: 326012-53-7
• 化学式: C₁₆H₁₂O₄
• 分子量: 268.269
• InChiKey: MMILVWUTHVVCKD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  20
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4b,9b-Dihydroxy-6-methyl-4b,9b-dihydro-5-oxa-indeno[2,1-a]inden-10-one 在 ammonium acetate 、 溶剂黄146 作用下， 反应 1.0h， 生成 3-(2-hydroxy-3-methylbenzoyl)isoindolin-1-one
  参考文献：
  名称：

  Facile synthesis of 3H,3′H-spiro[benzofuran-2,1′-isoindole]-3,3′-diones using monobromomalononitrile (MBM) as an efficient organo-brominating agent

  摘要：

  An efficient methodology for the synthesis of 3H,3'H-spiro[benzofuran-2,1'-isoindole]-3,3'-diones has been developed where monobromomalononitrile (MBM) has been employed as a non-hazardous brominating agent under ambient reaction condition. The intrinsic advantages of the methodology are the utilization of simple and easily available starting materials and non-toxic reagents, operational simplicity, and good yields of the products with high atom-economy. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.04.027
• 作为产物：
  描述：

  1,2,3-茚满三酮 、 邻甲酚 以 溶剂黄146 为溶剂， 生成 4b,9b-Dihydroxy-6-methyl-4b,9b-dihydro-5-oxa-indeno[2,1-a]inden-10-one
  参考文献：
  名称：

  The ninhydrin core as carbonyl source to access 2-(2′-hydroxyaryl)benzimidazoles exploiting the ortho selectivity of ninhydrin-phenol adducts

  摘要：

  DOI：

  10.1080/00397911.2021.1960379

文献信息

• Computational linear rheology of general branch-on-branch polymers
  作者：Chinmay Das、Nathanael J. Inkson、Daniel J. Read、Mark A. Kelmanson、Tom C. B. McLeish

  DOI：10.1122/1.2167487

  日期：2006.3

  present a general algorithm for predicting the linear rheology of branched polymers. While the method draws heavily on existing theoretical understanding of the relaxation processes in entangled polymer melts, a number of new concepts are developed to handle diverse polymer architectures including branch-on-branch structures. We validate the algorithm with experimental examples from model polymer architectures

  我们提出了一种预测支化聚合物线性流变学的通用算法。虽然该方法很大程度上借鉴了对缠结聚合物熔体中松弛过程的现有理论理解，但开发了许多新概念来处理包括分支对分支结构在内的各种聚合物结构。我们使用来自模型聚合物架构的实验示例验证算法，以修复模型的参数。我们使用实验确定的参数来生成支化茂金属催化聚乙烯树脂的数值集合。我们算法的应用显示了系统中支链对支链的重要性，并预测了线性流变学，并在广泛的支化密度和分子量范围内具有良好的定量一致性。
• Kundu, Sandip Kumar; Das, Suven; Pramanik, Animesh, Journal of Chemical Research, 2004, # 11, p. 781 - 783
  作者：Kundu, Sandip Kumar、Das, Suven、Pramanik, Animesh

  DOI：——

  日期：——
• Efficient synthesis of 3 H ,3′ H -spiro[benzofuran-2,1′-isobenzofuran]-3,3′-dione as novel skeletons specifically for influenza virus type B inhibition
  作者：Yashwardhan Malpani、Raghavendra Achary、So Yeon Kim、Hee Chun Jeong、Pilho Kim、Soo Bong Han、Meehyein Kim、Chong-Kyo Lee、Jae Nyoung Kim、Young-Sik Jung

  DOI：10.1016/j.ejmech.2013.01.015

  日期：2013.4

  An efficient and novel two step synthetic procedure to prepare various substituted 3H,3'H-spiro[benzofuran-2,1'-isobenzofuran]-3,3'-diones A, was established from very simple and easily available starting materials. The developed method is a robust and general approach for the synthesis of these structures. The prepared compounds were tested against influenza virus type A viz., A/Taiwan/1/86 (H1N1), A/Hong Kong/8/68 (H3N2) and type B viz., B/Panama/45/90, B/Taiwan/2/62, B/Lee/40, B/Brisbane/60/2008. Among 31 compounds tested, some of them showed good activity (selective index values >10) against these influenza viruses preferentially for type B. The most active compound 3b showed activity in 3.0-16.1 mu M range with a selectivity index value between 30 and 166 against these type B viruses, in which it was comparable to the antiviral agent favipiravir. Also, 3b is found to be inactive against other enveloped viruses (viz., HIV and HSV) showing its specificity for influenza viruses. (C) 2013 Elsevier Masson SAS. All rights reserved.
• A Simple Synthesis of Benzodiazonines from C-2 Arylated 1, 3-Indanediones
  作者：Suven Das、Arpita Dutta

  DOI：10.3987/com-15-13385

  日期：——

  A simple, facile, one-pot procedure for the synthesis of substituted benzodiazonines from phenolic adducts of ninhydrin is described. The process involves a base-catalyzed rearrangement followed by condensation of 1,3-propanediamine to furnish nine-membered heterocyclic ring system.
• Silica sulfuric acid: an efficient reusable heterogeneous solid support for the synthesis of 3H,3′H-spiro[benzofuran-2,1′isobenzofuran]-3,3′-diones under solvent-free condition
  作者：Kamalesh Debnath、Sudipta Pathak、Animesh Pramanik

  DOI：10.1016/j.tetlet.2014.01.109

  日期：2014.3

  A highly efficient protocol for the library synthesis of biologically important 3H,3'H-spiro[benzofuran-2,1'isobenzofuran]-3,3'-diones has been developed by employing silica sulfuric acid (SSA) as solid acid support under solvent-free condition. The dual characteristics of SSA, as an activating agent as well as oxidizing agent, have been well exposed in these syntheses. The intrinsic advantages of the methodology are the use of solvent-free reaction condition without using any toxic reagents or metal catalyst, operational simplicity, recyclability of the solid support, good availability of the starting materials, and excellent yields which make the method attractive, economic, and 'benign by design'. (C) 2014 Elsevier Ltd. All rights reserved.