2-[2-(Anthracen-9-ylsulfanyl)-ethyl]-4-hydroxy-3-methoxy-4-(3-phenyl-prop-1-ynyl)-cyclobut-2-enone | 155052-71-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 2-[2-(Anthracen-9-ylsulfanyl)-ethyl]-4-hydroxy-3-methoxy-4-(3-phenyl-prop-1-ynyl)-cyclobut-2-enone
• 英文别名: 2-(2-Anthracen-9-ylsulfanylethyl)-4-hydroxy-3-methoxy-4-(3-phenylprop-1-ynyl)cyclobut-2-en-1-one
• CAS: 155052-71-4
• 化学式: C₃₀H₂₄O₃S
• 分子量: 464.585
• InChiKey: QQEPQKVLOPVAMM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  34
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  71.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-[2-(Anthracen-9-ylsulfanyl)-ethyl]-4-hydroxy-3-methoxy-4-(3-phenyl-prop-1-ynyl)-cyclobut-2-enone 以 乙腈 为溶剂， 以71%的产率得到3-[2-(Anthracen-9-ylsulfanyl)-ethyl]-5-benzyl-2-methoxy-[1,4]benzoquinone
  参考文献：
  名称：

  DNA Cleavage by 4-Alkynyl-3-methoxy-4-hydroxycyclobutenones

  摘要：

  4-Alkynyl-3-methoxy-4-hydroxycyclobutenones, a readily available class of compounds, cleave supercoiled DNA by a mechanism that appears to require at least some involvement of diradical intermediates formed in the ring expansion of the cyclobutenones.

  DOI：

  10.1021/jo00088a002
• 作为产物：
  描述：

  蒽-9-硫醇 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 2-[2-(Anthracen-9-ylsulfanyl)-ethyl]-4-hydroxy-3-methoxy-4-(3-phenyl-prop-1-ynyl)-cyclobut-2-enone
  参考文献：
  名称：

  DNA Cleavage by 4-Alkynyl-3-methoxy-4-hydroxycyclobutenones

  摘要：

  4-Alkynyl-3-methoxy-4-hydroxycyclobutenones, a readily available class of compounds, cleave supercoiled DNA by a mechanism that appears to require at least some involvement of diradical intermediates formed in the ring expansion of the cyclobutenones.

  DOI：

  10.1021/jo00088a002

文献信息

• DNA Cleavage by 4-Alkynyl-3-methoxy-4-hydroxycyclobutenones
  作者：Robert W. Sullivan、Vincent M. Coghlan、Stephen A. Munk、Harold W. Moore、Michael W. Reed

  DOI：10.1021/jo00088a002

  日期：1994.5

  4-Alkynyl-3-methoxy-4-hydroxycyclobutenones, a readily available class of compounds, cleave supercoiled DNA by a mechanism that appears to require at least some involvement of diradical intermediates formed in the ring expansion of the cyclobutenones.