5-Oxatetradeca-1,7,13-triyn-6-one | 144534-37-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 5-Oxatetradeca-1,7,13-triyn-6-one
• 英文别名: But-3-ynyl nona-2,8-diynoate
• CAS: 144534-37-2
• 化学式: C₁₃H₁₄O₂
• 分子量: 202.253
• InChiKey: FONSIKDSZZVYDQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-Oxatetradeca-1,7,13-triyn-6-one 在 四(三苯基膦)镍 作用下， 以 四氢呋喃 为溶剂， 以46%的产率得到3,4,7,8,9,10-Hexahydronaphtho<1,2-c>pyran-1-one
  参考文献：
  名称：

  Nickel(0)-promoted synthesis of tetralin lactones from the co-cyclisation of monoynes and octa-1,7-diynes terminally substituted with ester or amide groups

  摘要：

  The co-cyclisation of octa-1,7-diynes with a variety of monoynes mediated by nickel(0) requires ester or amide groups at the terminal positions of the diyne and is subject to steric hindrance about the diyne rather than the monoyne; fused tetralin lactones are the most common products obtained in moderate to good yields. Intramolecular cyclisation of two triynes to the same type of product gives superior yields.

  DOI：

  10.1039/p19920002163
• 作为产物：
  描述：

  Nona-2,8-diynoic acid 、 3-丁炔-1-醇 在 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 以79%的产率得到5-Oxatetradeca-1,7,13-triyn-6-one
  参考文献：
  名称：

  Nickel(0)-promoted synthesis of tetralin lactones from the co-cyclisation of monoynes and octa-1,7-diynes terminally substituted with ester or amide groups

  摘要：

  The co-cyclisation of octa-1,7-diynes with a variety of monoynes mediated by nickel(0) requires ester or amide groups at the terminal positions of the diyne and is subject to steric hindrance about the diyne rather than the monoyne; fused tetralin lactones are the most common products obtained in moderate to good yields. Intramolecular cyclisation of two triynes to the same type of product gives superior yields.

  DOI：

  10.1039/p19920002163

文献信息

• Nickel(0)-promoted synthesis of tetralin lactones from the co-cyclisation of monoynes and octa-1,7-diynes terminally substituted with ester or amide groups
  作者：Parveen Bhatarah、Edward H. Smith

  DOI：10.1039/p19920002163

  日期：——

  The co-cyclisation of octa-1,7-diynes with a variety of monoynes mediated by nickel(0) requires ester or amide groups at the terminal positions of the diyne and is subject to steric hindrance about the diyne rather than the monoyne; fused tetralin lactones are the most common products obtained in moderate to good yields. Intramolecular cyclisation of two triynes to the same type of product gives superior yields.