9-anilinophenanthrene-7,10-dione | 922192-02-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 9-anilinophenanthrene-7,10-dione
• 英文别名: 3-Anilinophenanthrene-1,4-dione；3-anilinophenanthrene-1,4-dione
• CAS: 922192-02-7
• 化学式: C₂₀H₁₃NO₂
• 分子量: 299.329
• InChiKey: DZUGCVFKBXITLB-UHFFFAOYSA-N

物化性质

• 沸点：
  509.9±50.0 °C(Predicted)
• 密度：
  1.363±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  46.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  9-anilinophenanthrene-7,10-dione 在 palladium diacetate 、 溶剂黄146 作用下， 生成 7H-Naphtho[1,2-b]carbazole-7,13(12H)-dione
  参考文献：
  名称：

  Structure–activity delineation of quinones related to the biologically active Calothrixin B

  摘要：

  Quinones such as Calothrixins A and B display a range of biological properties. As part of our ongoing studies to elucidate the mechanism of action of the Calothrixins, several related quinones were synthesized and tested for biological activity. The results of the structure-activity relationship (SAR) studies are reported here. beta 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.09.090
• 作为产物：
  描述：

  菲-1,4-二酮 、 苯胺 在 溶剂黄146 、 air 作用下， 以 水 为溶剂， 生成 9-anilinophenanthrene-7,10-dione 、
  参考文献：
  名称：

  Structure–activity delineation of quinones related to the biologically active Calothrixin B

  摘要：

  Quinones such as Calothrixins A and B display a range of biological properties. As part of our ongoing studies to elucidate the mechanism of action of the Calothrixins, several related quinones were synthesized and tested for biological activity. The results of the structure-activity relationship (SAR) studies are reported here. beta 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.09.090

文献信息

• Structure–activity delineation of quinones related to the biologically active Calothrixin B
  作者：Paul H. Bernardo、Christina L.L. Chai、Maurice Le Guen、Geoffrey D. Smith、Paul Waring

  DOI：10.1016/j.bmcl.2006.09.090

  日期：2007.1

  Quinones such as Calothrixins A and B display a range of biological properties. As part of our ongoing studies to elucidate the mechanism of action of the Calothrixins, several related quinones were synthesized and tested for biological activity. The results of the structure-activity relationship (SAR) studies are reported here. beta 2006 Elsevier Ltd. All rights reserved.