6-Nonadecyl-1,3,8-trihydroxy-10H-anthracene-9-one | 183850-61-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 6-Nonadecyl-1,3,8-trihydroxy-10H-anthracene-9-one
• 英文别名: 1,3,8-Trihydroxy-6-nonadecylanthracen-9(10H)-one；1,3,8-trihydroxy-6-nonadecyl-10H-anthracen-9-one
• CAS: 183850-61-5
• 化学式: C₃₃H₄₈O₄
• 分子量: 508.742
• InChiKey: OZPDQJQHUXBAMM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.8
• 重原子数：
  37
• 可旋转键数：
  18
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  77.8
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-Nonadecyl-1,3,8-trihydroxy-10H-anthracene-9-one 在 哌啶 、 吡啶-N-氧化物 作用下， 生成 1,3,4,6,8,13-Hexahydroxy-10,11-dinonadecyl-phenanthro[1,10,9,8-opqra]perylene-7,14-dione
  参考文献：
  名称：

  Synthesis and properties of an ?,??-appended eighteen carbon chains hypericin derivative

  摘要：

  An omega,omega-appended eighteen carbon chains hypercin derivative (2) was synthesized starting from emodin. The overall yield of the seven step synthesis was 12%. The H-1 and C-13 NMR, absorption, and emission spectroscopic properties were measured; 2 can be dissolved even in apolar solvents and polyethylene.

  DOI：

  10.1007/bf00817262
• 作为产物：
  描述：

  6-Bromomethyl-1,3,8-trimethoxy-6-methyl-anthraquinone 在 palladium on activated charcoal 18-冠醚-6 、 氢溴酸 、 氢碘酸 、 氢气 、 potassium carbonate 作用下， 以 二氯甲烷 、 溶剂黄146 、 乙酸乙酯 、 苯 为溶剂， 反应 42.5h， 生成 6-Nonadecyl-1,3,8-trihydroxy-10H-anthracene-9-one
  参考文献：
  名称：

  Synthesis and properties of an ?,??-appended eighteen carbon chains hypericin derivative

  摘要：

  An omega,omega-appended eighteen carbon chains hypercin derivative (2) was synthesized starting from emodin. The overall yield of the seven step synthesis was 12%. The H-1 and C-13 NMR, absorption, and emission spectroscopic properties were measured; 2 can be dissolved even in apolar solvents and polyethylene.

  DOI：

  10.1007/bf00817262

文献信息

• US7195783B2
  申请人：——

  公开号：US7195783B2

  公开（公告）日：2007-03-27
• Synthesis and properties of an ?,??-appended eighteen carbon chains hypericin derivative
  作者：H. Falk、T. N. H. Tran

  DOI：10.1007/bf00817262

  日期：——

  An omega,omega-appended eighteen carbon chains hypercin derivative (2) was synthesized starting from emodin. The overall yield of the seven step synthesis was 12%. The H-1 and C-13 NMR, absorption, and emission spectroscopic properties were measured; 2 can be dissolved even in apolar solvents and polyethylene.