indan-4,5-dicarboxylic acid anhydride | 4369-93-1

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: indan-4,5-dicarboxylic acid anhydride
• 英文别名: Indan-4,5-dicarbonsaeure-anhydrid；1,3-Dioxo-3,6,7,8-tetrahydro-1H-indeno<4,5-c>furan；4,5-Indandicarboxylic anhydride；7,8-dihydro-6H-cyclopenta[e][2]benzofuran-1,3-dione
• CAS: 4369-93-1
• 化学式: C₁₁H₈O₃
• 分子量: 188.183
• InChiKey: GRMJYVGIDAHFEL-UHFFFAOYSA-N

物化性质

• 熔点：
  59.5-60.5 °C
• 沸点：
  396.2±31.0 °C(Predicted)
• 密度：
  1.429±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  indan-4,5-dicarboxylic acid anhydride 在 尿素 作用下， 反应 0.5h， 以60%的产率得到1H,2H,3H,6H,7H,8H-cyclopenta[e]isoindole-1,3-dione
  参考文献：
  名称：

  Synthesis and structure–activity relationships of novel poly(ADP-ribose) polymerase-1 inhibitors

  摘要：

  A series of novel pyrrolocarbazoles was synthesized as potential PARP-1 inhibitors. Pyrrolocarbazole 1 was identified as a potent PARP-I inhibitor (IC50 = 36 nM) from our internal database. Synthesis of analogs around this template with the aid of modeling studies led to the identification of the truncated imide 14. Compound 14 (IC50 = 40 nM), with deleted B-ring, was found to be an equipotent PARP-1 inhibitor. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.10.099
• 作为产物：
  描述：

  4,5-Dicarboxy-indan 在 乙酸酐 作用下， 反应 4.0h， 以85%的产率得到indan-4,5-dicarboxylic acid anhydride
  参考文献：
  名称：

  Synthesis and structure–activity relationships of novel poly(ADP-ribose) polymerase-1 inhibitors

  摘要：

  A series of novel pyrrolocarbazoles was synthesized as potential PARP-1 inhibitors. Pyrrolocarbazole 1 was identified as a potent PARP-I inhibitor (IC50 = 36 nM) from our internal database. Synthesis of analogs around this template with the aid of modeling studies led to the identification of the truncated imide 14. Compound 14 (IC50 = 40 nM), with deleted B-ring, was found to be an equipotent PARP-1 inhibitor. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.10.099

文献信息

• Alder et al., Justus Liebigs Annalen der Chemie, 1959, vol. 627, p. 59,72
  作者：Alder et al.

  DOI：——

  日期：——
• HEAT-SENSITIVE COLOR-DEVELOPING COMPOSITION AND HEAT-SENSITIVE RECORDING MATERIAL COMPRISING THE COMPOSITION
  申请人：Yamaguchi Ryoji

  公开号：US20130180430A1

  公开（公告）日：2013-07-18

  [Problem to be Solved] To provide a heat-sensitive recording material having high fastness and a vivid hue. [Solution] A heat-sensitive color-developing composition containing a hydroxyquinoline compound having a methyl group and an acid anhydride compound represented by general formula (1): wherein ring A represents a substituted or unsubstituted aromatic hydrocarbon ring, and n represents an integer of 1 to 3, and a heat-sensitive recording material containing the composition in a recording layer.
• US8888906B2
  申请人：——

  公开号：US8888906B2

  公开（公告）日：2014-11-18