4-acetylamino-1-acetoxy-9,10-anthraquinone | 52062-64-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 4-acetylamino-1-acetoxy-9,10-anthraquinone
• 英文别名: 1-acetoxy-4-acetylamino-anthraquinone；1-Acetoxy-4-acetylamino-anthrachinon；4-Acetamino-1-acetoxy-anthrachinon；1-Acetamido-4-acetoxyanthraquinon；Nhebbwyookvsmv-uhfffaoysa-；(4-acetamido-9,10-dioxoanthracen-1-yl) acetate
• CAS: 52062-64-3
• 化学式: C₁₈H₁₃NO₅
• 分子量: 323.305
• InChiKey: NHEBBWYOOKVSMV-UHFFFAOYSA-N

物化性质

• 沸点：
  613.9±55.0 °C(Predicted)
• 密度：
  1.407±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  89.5
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-acetylamino-1-acetoxy-9,10-anthraquinone 、 苯乙腈 在 potassium carbonate 作用下， 以 二甲基亚砜 为溶剂， 反应 0.25h， 以40%的产率得到N-(6-Oxo-1-phenyl-6H-anthra[1,9-bc]furan-5-yl)-acetamide
  参考文献：
  名称：

  Synthesis of 1-phenyl-6H-anthra[1,9-b,c]furan-6-one (furanoanthrone) derivatives by the reaction of 1-acyloxy-9,10-anthraquinones with benzyl cyanide

  摘要：

  The reactions of various 1-acyloxyanthraquinones with benzyl cyanide in DMSO in the presence of K2CO3 were studied. 1-Phenyl-6H-anthra[1,9-b,c]furan-6-one derivatives are formed as the main reaction products. In the case of unsubstituted L-acyloxyanthraquinones, 1-phenyl-6H-anthra[1,9-b,c]furan-6-one and 1-phenylanthra[1,9-b,c]pyran-2,7-dione were isolated. It was shown that furanoanthrones can be synthesized in two steps via the corresponding pyronoanthrones.

  DOI：

  10.1007/bf01431117
• 作为产物：
  描述：

  1-azidoanthracene-9,10-dione 在 硫酸 作用下， 生成 4-acetylamino-1-acetoxy-9,10-anthraquinone
  参考文献：
  名称：

  Brass; Ziegler, Chemische Berichte, 1925, vol. 58, p. 762

  摘要：

  DOI：

文献信息

• Brass; Ziegler, Chemische Berichte, 1925, vol. 58, p. 762
  作者：Brass、Ziegler

  DOI：——

  日期：——
• Synthesis of 1-phenyl-6H-anthra[1,9-b,c]furan-6-one (furanoanthrone) derivatives by the reaction of 1-acyloxy-9,10-anthraquinones with benzyl cyanide
  作者：I. Ya. Mainagashev、L. S. Klimenko

  DOI：10.1007/bf01431117

  日期：1996.11

  The reactions of various 1-acyloxyanthraquinones with benzyl cyanide in DMSO in the presence of K2CO3 were studied. 1-Phenyl-6H-anthra[1,9-b,c]furan-6-one derivatives are formed as the main reaction products. In the case of unsubstituted L-acyloxyanthraquinones, 1-phenyl-6H-anthra[1,9-b,c]furan-6-one and 1-phenylanthra[1,9-b,c]pyran-2,7-dione were isolated. It was shown that furanoanthrones can be synthesized in two steps via the corresponding pyronoanthrones.