(2E,4E)-2-Fluoro-3-methyl-5-(2,6,6-trimethyl-3-oxo-cyclohex-1-enyl)-penta-2,4-dienal | 224046-67-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (2E,4E)-2-Fluoro-3-methyl-5-(2,6,6-trimethyl-3-oxo-cyclohex-1-enyl)-penta-2,4-dienal
• CAS: 224046-67-7
• 化学式: C₁₅H₁₉FO₂
• 分子量: 250.313
• InChiKey: NTKFDXYUCZFVJG-JHKDLGJPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.69
• 重原子数：
  18.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  34.14
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  (2E,4E)-2-Fluoro-3-methyl-5-(2,6,6-trimethyl-3-oxo-cyclohex-1-enyl)-penta-2,4-dienal 在 sodium methylate 、 sodium hydride 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-15-Fluoro-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-3-oxo-cyclohex-1-enyl)-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-6-hydroxy-2,4,4-trimethyl-cyclohex-2-enone
  参考文献：
  名称：

  Fluorinated Analogs of the Carotenoprotein, α-Crustacyanin

  摘要：

  Four analogs of the carotenoprotein alpha-crustacyanin have been prepared by reconstitution with the ah-trans isomer of four new carotenoids (10-F, 10,10'-F-2 and 14-F-astaxanthins, and 10'-F-adonirubin). All four blue carotenoproteins exhibit absorption spectra similar to that of the natural alpha-crustacyanin with lambda(max) in the range of 613-625 nm. Different rates of pigment formation and yields were noted. F NMR spectra of pigments derived from the three 10F carotenoids have been recorded. Four cis isomers of 14-F-astaxanthin and one of 10'-F-adonirubin were also isolated. (C) 1998 Academic Press.

  DOI：

  10.1006/bioo.1998.1114
• 作为产物：
  描述：

  2-氟-2-磷酰基乙酸三乙酯 、 (E)-2,4,4-trimethyl-3-(3-oxobut-1-en-1-yl)cyclohex-2-enone 生成 (2E,4E)-2-Fluoro-3-methyl-5-(2,6,6-trimethyl-3-oxo-cyclohex-1-enyl)-penta-2,4-dienal 、 all-trans-4-keto-10F-β-ionylideneacetaldehyde
  参考文献：
  名称：

  Fluorinated astaxanthins

  摘要：

  The syntheses and spectral data of three fluorinated astaxanthins (10-F, 14-F and 10,10'-F-2) are reported. (C) 1997 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)10309-4