2-(nonadeca-12,15,18-triynyloxy)tetrahydro-2H-pyran | 1079399-61-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧烷类
• 英文名称: 2-(nonadeca-12,15,18-triynyloxy)tetrahydro-2H-pyran
• CAS: 1079399-61-3
• 化学式: C₂₄H₃₆O₂
• 分子量: 356.549
• InChiKey: DRUIAHKUAXYPFH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.85
• 重原子数：
  26.0
• 可旋转键数：
  12.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  18.46
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  (2Z,5Z,8Z,11Z,14Z)-1-bromoheptadeca-2,5,8,11,14-pentaene 、 2-(nonadeca-12,15,18-triynyloxy)tetrahydro-2H-pyran 在 乙基溴化镁 、 copper(I) bromide 作用下， 以 四氢呋喃 为溶剂， 反应 12.17h， 以44%的产率得到2-((21Z,24Z,27Z,30Z,33Z)-hexatriaconta-21,24,27,30,33-pentaene-12,15,18-triynyloxy)tetrahydro-2H-pyran
  参考文献：
  名称：

  Identification of very-long-chain polyunsaturated fatty acids from Amphidinium carterae by atmospheric pressure chemical ionization liquid chromatography–mass spectroscopy

  摘要：

  A method is described for the enrichment of very-long-chain polyunsaturated fatty acids (VLCPUFAs) from total fatty acids of Amphidinium carterae and their identification as picolinyl esters by means of microbore liquid chromatography-mass spectrometry with atmospheric pressure chemical ionization (LC-MS/APCI). The combination of argentation TLC and LC-MS/APCI was used to identify unusual VLCPUFAs up to hexatriacontaoctaenoic acid. Two acids, 36:7n-6 and 36:8n-3, were also synthesized to unambiguously confirm their structure. The possibilities of VLCPUFAs biosynthesis are proposed. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.phytochem.2008.06.011
• 作为产物：
  描述：

  13-<(tetrahydropyran-2'-yl)oxy>tridecan-1-yne 、 1-bromo-2,5-hexadiyne 在 乙基溴化镁 作用下， 以 四氢呋喃 为溶剂， 反应 25.5h， 以57%的产率得到2-(nonadeca-12,15,18-triynyloxy)tetrahydro-2H-pyran
  参考文献：
  名称：

  Identification of very-long-chain polyunsaturated fatty acids from Amphidinium carterae by atmospheric pressure chemical ionization liquid chromatography–mass spectroscopy

  摘要：

  A method is described for the enrichment of very-long-chain polyunsaturated fatty acids (VLCPUFAs) from total fatty acids of Amphidinium carterae and their identification as picolinyl esters by means of microbore liquid chromatography-mass spectrometry with atmospheric pressure chemical ionization (LC-MS/APCI). The combination of argentation TLC and LC-MS/APCI was used to identify unusual VLCPUFAs up to hexatriacontaoctaenoic acid. Two acids, 36:7n-6 and 36:8n-3, were also synthesized to unambiguously confirm their structure. The possibilities of VLCPUFAs biosynthesis are proposed. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.phytochem.2008.06.011