辛-2,4,7-三烯醛 | 121742-58-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 辛-2,4,7-三烯醛
• 中文别名: 2,4,7-辛三烯醛,(2E,4E)-
• 英文名称: 2-trans-4-trans-2,4,7-octatrienal
• 英文别名: 2-trans,4-trans,7-n-octatrienal；(2E,4E,7)-octa-2,4,7-trienal；(2E,4E)-octa-2,4,7-trienal
• CAS: 121742-58-3
• 化学式: C₈H₁₀O
• 分子量: 122.167
• InChiKey: VEIAVWGDUXTGOR-YTXTXJHMSA-N

物化性质

• 沸点：
  219.4±19.0 °C(Predicted)
• 密度：
  0.871±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  辛-2,4,7-三烯醛 、 乙氧甲酰基亚乙基三苯基 以 二氯甲烷 为溶剂， 反应 18.0h， 生成 (2E,4E,6E)-2-Methyl-deca-2,4,6,9-tetraenoic acid ethyl ester
  参考文献：
  名称：

  Detection of short-chain aldehydes in marine organisms: the diatom Thalassiosira rotula

  摘要：

  Short-chain aldehydes are analysed by GC-MS and NMR after their transformation into the corresponding carboxyethylethylidene (CET) derivatives via Wittig reaction. The procedure implies the treatment of the aldehyde with (carbetoxyethylidene)-triphenylphosphorane under very mild conditions. The method is suitable for the detection of short and medium chain aldehydes. CET derivatives are easily prepared and can be Utilised for the analysis of raw biological samples. The efficacy of the method has been tested in the identification of biologically active aldehydes in the marine diatom Thalassiosira rotula. At least two compounds, trans,trans-octadienal and 2-trans-4-trans-2,4,7-octatrienal, that have not been revealed in previous papers are unambiguously identified in the microalga. (C) 2002 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(02)01283-2
• 作为产物：
  描述：

  methyl 11-hydroxyundeca-6,9-diynoate 在 Pd-BaSO₄ 喹啉 、 sodium hydroxide 、 copper(l) iodide 、 四溴化碳 、 Skeletonema costatum 、 caesium carbonate 、 三苯基膦 、 氘 、 sodium iodide 作用下， 以 甲醇 、 乙醇 、 水 为溶剂， 反应 16.02h， 生成 辛-2,4,7-三烯醛
  参考文献：
  名称：

  Production of Octadienal in the Marine Diatom Skeletonema costatum

  摘要：

  Marine diatoms produce alpha,beta,gamma,delta-unsaturated aldehydes that have detrimental effects on the reproduction of their natural predators. The production of these defensive metabolites is suggested to involve enzymatic oxidation of. polyunsaturated fatty acids. In this paper, feeding experiments with labeled precursor provide clear evidence in support of the origin of octadienals 1 and 2 from 6,9,12-hexadecatrienoic acid (5), thus proving the involvement of novel lipoxygenase/lyase activity for the oxidation of C-16 fatty acids.

  DOI：

  10.1021/ol034057c

文献信息

• Furber, Mark; Herbert, John M.; Taylor, Richard J. K., Journal of the Chemical Society. Perkin transactions I, 1989, p. 683 - 690
  作者：Furber, Mark、Herbert, John M.、Taylor, Richard J. K.

  DOI：——

  日期：——
• FURBER, MARK;HERBERT, JOHN M.;TAYLOR, RICHARD J. K., J. CHEM. SOC. PERKIN TRANS. PT 1,(1989) N, C. 683-690
  作者：FURBER, MARK、HERBERT, JOHN M.、TAYLOR, RICHARD J. K.

  DOI：——

  日期：——