2-(3,4-dihydroxybut-1-yn-1-yl)-5-(penta-1,3-diyn-1-yl)thiophene | 1212-60-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: 2-(3,4-dihydroxybut-1-yn-1-yl)-5-(penta-1,3-diyn-1-yl)thiophene
• 英文别名: 2-(penta-1,3-diynyl)-5-(3,4-dihydroxy-but-1-ynyl)-thiophene；2-(penta-1,3-diynyl)-5-(3,4-dihydroxybut-1-ynyl)-thiophene；4-(5-(penta-1,3-diyn-1-yl)thiophen-2-yl)but-3-yne-1,2-diol；4-[5-(penta-1,3-diyn-1-yl)thiophen-2-yl]but-3-yne-1,2-diol；2-(pentadiynyl-1,3)-5-(3,4-dihydroxy-butynyl-1)thiophene；4-[5-(penta-1,3-diyn-1-yl)-2-thienyl]-but-3-yne-1,2-diol；4-(5-penta-1,3-diynylthiophen-2-yl)but-3-yne-1,2-diol
• CAS: 1212-60-8；130756-00-2
• 化学式: C₁₃H₁₀O₂S
• 分子量: 230.287
• InChiKey: MZCFHXFKOQBSQU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  68.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  甲醇 、 echinopsacetylene B 在 盐酸 作用下， 反应 1.0h， 生成 2-(3,4-dihydroxybut-1-yn-1-yl)-5-(penta-1,3-diyn-1-yl)thiophene 、 亚油酸甲酯
  参考文献：
  名称：

  Echinopsacetylenes A and B, New Thiophenes from Echinops transiliensis

  摘要：

  Two new polyacetylene thiophenes, echinopsacetylenes A and B (1 and 2), were Isolated from the roots of Echinops transiliensis. The structures of 1 and 2 were elucidated on the basis of spectroscopic analyses and chemical transformations. Echinopsacetylenes A (1) Is the first natural product possessing an cc-terthienyl moiety covalently linked with another thiophene moiety. Echinopsacetylenes 8 (2) is the first natural thiophene conjugated with a fatty acid moiety. Echinopsacetylene A (1) showed toxicity against the Formosoan subterranean termite (Coptotermes formosanus).

  DOI：

  10.1021/ol202680a

文献信息

• Echinopsacetylenes A and B, New Thiophenes from <i>Echinops transiliensis</i>
  作者：Hiroshi Nakano、Charles L. Cantrell、Leonid K. Mamonov、Weste L. A. Osbrink、Samir A. Ross

  DOI：10.1021/ol202680a

  日期：2011.12.2

  Two new polyacetylene thiophenes, echinopsacetylenes A and B (1 and 2), were Isolated from the roots of Echinops transiliensis. The structures of 1 and 2 were elucidated on the basis of spectroscopic analyses and chemical transformations. Echinopsacetylenes A (1) Is the first natural product possessing an cc-terthienyl moiety covalently linked with another thiophene moiety. Echinopsacetylenes 8 (2) is the first natural thiophene conjugated with a fatty acid moiety. Echinopsacetylene A (1) showed toxicity against the Formosoan subterranean termite (Coptotermes formosanus).