isocardopatine | 70607-89-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 双噻吩和低聚噻吩
• 英文名称: isocardopatine
• 英文别名: Isocardopatine；2-thiophen-2-yl-5-[2-[(1S,2R)-2-[2-(5-thiophen-2-ylthiophen-2-yl)ethynyl]cyclobutyl]ethynyl]thiophene
• CAS: 70607-89-5
• 化学式: C₂₄H₁₆S₄
• 分子量: 432.655
• InChiKey: AJDPUENWMJCJEF-HDICACEKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.6
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  113
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5-(3-丁烯-1-炔基)-2,2'-联噻吩 以 Petroleum ether 为溶剂， 反应 40.0h， 以7 mg的产率得到isocardopatine
  参考文献：
  名称：

  Thiophene derivatives from Echinops species

  摘要：

  Roots and green parts of 16 Echinops species were examined by GC-MS for their content of thiophenes. Thiophenes were detected only in the roots. From E. bannaticus and E. ritro two thiophene dimers known as cardopatine and isocardopatine were isolated. These dimers have previously been isolated from Cardopatium corymbosum, but are reported here from Echinops species for the first time.

  DOI：

  10.1016/s0031-9422(00)95194-x

文献信息

• Acetylenes and related compounds in Cynareae
  作者：Lars P. Christensen、Jorgen Lam

  DOI：10.1016/0031-9422(90)87075-6

  日期：1990.1
• Thiophene derivatives from Echinops species
  作者：Jørgen Lam、Lars P. Christensen、Tove Thomasen

  DOI：10.1016/s0031-9422(00)95194-x

  日期：1991.1

  Roots and green parts of 16 Echinops species were examined by GC-MS for their content of thiophenes. Thiophenes were detected only in the roots. From E. bannaticus and E. ritro two thiophene dimers known as cardopatine and isocardopatine were isolated. These dimers have previously been isolated from Cardopatium corymbosum, but are reported here from Echinops species for the first time.