1,8-bis(1-hydroxy-4-methoxyanthracene-9,10-dion-2-yl)-1,8-dimethoxymethyloxyoctane | 200863-85-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 1,8-bis(1-hydroxy-4-methoxyanthracene-9,10-dion-2-yl)-1,8-dimethoxymethyloxyoctane
• 英文别名: 1-Hydroxy-2-[8-(1-hydroxy-4-methoxy-9,10-dioxoanthracen-2-yl)-1,8-bis(methoxymethoxy)octyl]-4-methoxyanthracene-9,10-dione
• CAS: 200863-85-0
• 化学式: C₄₂H₄₂O₁₂
• 分子量: 738.788
• InChiKey: BLTXHUNEAIRRFS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.6
• 重原子数：
  54
• 可旋转键数：
  17
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  164
• 氢给体数：
  2
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  1,8-bis(1-hydroxy-4-methoxyanthracene-9,10-dion-2-yl)-1,8-dimethoxymethyloxyoctane 在 三氯化硼 作用下， 以 二氯甲烷 为溶剂， 以86%的产率得到1,8-bis(1,4-dihydroxyanthracene-9,10-dion-2-yl)-1,8-octanediol
  参考文献：
  名称：

  The synthesis of bisanthraquinone derivatives as DNA bisintercalating agents

  摘要：

  The linked bisanthraquinone derivatives 4a-c were synthesized as DNA bisintercalating agents. Starting from the aldehyde 7, the linking chain was introduced via a Grignard reaction to afford the ethers 9a-c. Subsequent anodic oxidation of these products, followed by annelation with the anion of phthalide 5 affordedthe linked anthraquinones 12. The target compounds were then obtained by selective esterification with the acid 14, followed by deprotection with anhydrous hydrogen chloride. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)10196-x
• 作为产物：
  描述：

  1,8-bis(2-methoxymethyloxy-5-methoxyphenyl)-1,8-dimethoxymethyloxyoctane 在 sodium acetate 、 lithium perchlorate 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 反应 6.5h， 生成 1,8-bis(1-hydroxy-4-methoxyanthracene-9,10-dion-2-yl)-1,8-dimethoxymethyloxyoctane
  参考文献：
  名称：

  The synthesis of bisanthraquinone derivatives as DNA bisintercalating agents

  摘要：

  The linked bisanthraquinone derivatives 4a-c were synthesized as DNA bisintercalating agents. Starting from the aldehyde 7, the linking chain was introduced via a Grignard reaction to afford the ethers 9a-c. Subsequent anodic oxidation of these products, followed by annelation with the anion of phthalide 5 affordedthe linked anthraquinones 12. The target compounds were then obtained by selective esterification with the acid 14, followed by deprotection with anhydrous hydrogen chloride. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)10196-x

文献信息

• The synthesis of bisanthraquinone derivatives as DNA bisintercalating agents
  作者：Ping Ge、Richard A. Russell

  DOI：10.1016/s0040-4020(97)10196-x

  日期：1997.12

  The linked bisanthraquinone derivatives 4a-c were synthesized as DNA bisintercalating agents. Starting from the aldehyde 7, the linking chain was introduced via a Grignard reaction to afford the ethers 9a-c. Subsequent anodic oxidation of these products, followed by annelation with the anion of phthalide 5 affordedthe linked anthraquinones 12. The target compounds were then obtained by selective esterification with the acid 14, followed by deprotection with anhydrous hydrogen chloride. (C) 1997 Elsevier Science Ltd.