2-phenyl-4-(octylamino)-anthra[1,2-b]pyridine-7,12-dione | 143077-33-2

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 2-phenyl-4-(octylamino)-anthra[1,2-b]pyridine-7,12-dione
• 英文别名: 2-phenyl-4-octylamino-naphtho{2,3-h}quinoline-7,12-dione；4-(octylamino)-2-phenylnaphtho[2,3-h]quinoline-7,12-dione
• CAS: 143077-33-2；157439-76-4
• 化学式: C₃₁H₃₀N₂O₂
• 分子量: 462.591
• InChiKey: HQLLCRMJSKQLEY-UHFFFAOYSA-N

物化性质

• 沸点：
  669.8±43.0 °C(Predicted)
• 密度：
  1.196±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.45
• 重原子数：
  35.0
• 可旋转键数：
  9.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  59.06
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-phenyl-4-(octylamino)-anthra[1,2-b]pyridine-7,12-dione 、 copper dichloride 以 乙醇 为溶剂， 反应 168.5h， 生成 (2-phenyl-4-(octylamino)-anthra[1,2-b]pyridine-7,12-dioneH)2[Cu2Cl6]
  参考文献：
  名称：

  Coordination compounds of some d metals with anthrapyridinedione derivatives: Crystal structure of 2-phenyl-4-(piperidyl-1)-anthra[1,2-b]pyridine-7,12-dionium hexabromodicuprate(II) (HL1)2[Cu2Br6]

  摘要：

  Complexes of copper(II), nickel(II), and cobalt(II) chlorides and bromides with 2-phenyl-4-(piperidyl-1)-anthra[1,2-b]pyridine-7,12-dione (L-1) and 2-[phenyl-4-(octylamino)-anthra[1,2-b]pyridine-7,12-dione (L-2) were synthesized from neutral and acidic media. The molecular and crystal structure of 2-phenyl-4-(piperidyl-1)-anthra[1,2-b]pyridine-7,12-dionium hexabromodicuprate(II) (HL1)(2)[Cu2Br6] was determined by X-ray diffraction analysis. The spectral characteristics of L-1 and L-2 and their complexes are presented. Formation of their complexes in solutions was studied.

  DOI：

  10.1134/s0036023612110149
• 作为产物：
  描述：

  1-amino-2-benzoylethynyl-9,10-anthraquinone 在 盐酸 作用下， 以 1,4-二氧六环 、 苯 为溶剂， 生成 2-phenyl-4-(octylamino)-anthra[1,2-b]pyridine-7,12-dione
  参考文献：
  名称：

  The cyclization of vicinal 1-amino-2-acylvinylated derivatives of aromatic amines

  摘要：

  A general method for the synthesis of substituted fused polycyclic compounds containing a 4-alkylamino- or 4-dialkylaminopyridine cycle has been proposed. The method includes the addition of primary or secondary amines to vicinal (acylethynyl)arylamines followed by the cyclization of the adducts under acidic or basic catalysis conditions. Various aminonaphthoquinolinediones and aminoquinolines have been prepared in high yields by this method.

  DOI：

  10.1007/bf00699931

文献信息

• Davydov, V. V.; Sarabia, M. G.; Ezhov, A. I., Russian Journal of Coordination Chemistry, 1994, vol. 20, p. 138 - 143
  作者：Davydov, V. V.、Sarabia, M. G.、Ezhov, A. I.、Sheban, G. V.、Kuznetsov, S. L.、et al.

  DOI：——

  日期：——