4-ethyl-2,2,4-trimethyl-hexan-3-one | 21811-13-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-ethyl-2,2,4-trimethyl-hexan-3-one
• 英文别名: ω-Methyl-ω.ω-diaethyl-pinakolon；4-Aethyl-2,2,4-trimethyl-hexan-3-on；4-Ethyl-2,2,4-trimethylhexan-3-one；4-ethyl-2,2,4-trimethylhexan-3-one
• CAS: 21811-13-2
• 化学式: C₁₁H₂₂O
• 分子量: 170.295
• InChiKey: LYGWHCVZOFDAGA-UHFFFAOYSA-N

物化性质

• 沸点：
  193-198 °C
• 密度：
  0.821±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.91
• 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：

  4-ethyl-2,2,4-trimethyl-hexan-3-one 在 乙醇 、 1-萘磺酸,4-溴- 、 sodium 作用下， 生成 3-乙基-2-戊烯
  参考文献：
  名称：

  Nasarow, Doklady Akademii Nauk SSSR, 1934, p. IV 288, 291, 293

  摘要：

  DOI：
• 作为产物：
  描述：

  2-乙基丁酰氯 在 溴 作用下， 以 氯仿 为溶剂， 生成 4-ethyl-2,2,4-trimethyl-hexan-3-one
  参考文献：
  名称：

  Dubois,J.-E. et al., Bulletin de la Societe Chimique de France, 1976, p. 1871 - 1874

  摘要：

  DOI：

文献信息

• Nasarow, Chemische Berichte, 1937, vol. 70, p. 620
  作者：Nasarow

  DOI：——

  日期：——
• Metathetical transposition of bis-tert-alkyl ketones. 2. Structural effects on alkyl migration. Existence of linear relation networks
  作者：P. Bauer、J. E. Dubois

  DOI：10.1021/ja00438a043

  日期：1976.10
• Nasarow, Zhurnal Obshchei Khimii, 1937, vol. 7, p. 710
  作者：Nasarow

  DOI：——

  日期：——
• Nasarow, Doklady Akademii Nauk SSSR, vol. 11, p. 74
  作者：Nasarow

  DOI：——

  日期：——
• Method for producing polyunsaturated fatty acids in transgenic plants
  申请人：Cirpus Petra

  公开号：US20090222951A1

  公开（公告）日：2009-09-03

  The present invention relates to a process for the production of polyunsaturated fatty acids in the seed of transgenic plants for introducing, into the organism, nucleic acids which encode polypeptides with ω3-desaturase, Δ12-desaturase, Δ6-desaturase, Δ6-elongase, Δ5-desaturase, Δ5-elongase and/or Δ4-desaturase activity, preferably polypeptides with Δ6-desaturase, Δ6-elongase and Δ5-desaturase activity. The nucleic acid sequences are the sequences shown in SEQ ID NO: 11, SEQ ID NO: 27, SEQ ID NO: 193, SEQ ID NO: 197, SEQ ID NO: 199 and SEQ ID NO: 201. These nucleic acid sequences can advantageously be expressed in the organism, if appropriate together with further nucleic acid sequences which encode polypeptides of the biosynthesis of the fatty acid or lipid metabolism. Especially advantageous are nucleic acid sequences which encode a Δ6-desaturase, a Δ5-desaturase, Δ4-desaturase, Δ12-desaturase and/or Δ6-elongase activity. These desaturases and elongases originate advantageously from Thalassiosira, Euglena or Ostreococcus . Furthermore, the invention relates to a process for the production of oils and/or triacylglycerides with an elevated content of long-chain polyunsaturated fatty acids. In a preferred embodiment, the invention furthermore relates to a process for the production of arachidonic acid, eicosapentaenoic acid or docosahexaenoic acid and to a process for the production of triglycerides with an elevated content of unsaturated fatty acids, in particular arachidonic acid, eicosapentaenoic acid and/or docosahexaenoic acid, in transgenic plants, advantageously in the seed of the transgenic plant. The invention relates to the generation of a transgenic plant with an elevated content of polyunsaturated fatty acids, in particular arachidonic acid, eicosapentaenoic acid and/or docosahexaenoic acid, as the result of the expression of the elongases and desaturases used in the process according to the invention. The invention furthermore relates to recombinant nucleic acid molecules comprising the nucleic acid sequences which encode the polypeptides with Δ6-desaturase, Δ6-elongase, Δ5-desaturase and Δ5-elongase activity, either jointly or individually, and transgenic plants which comprise the abovementioned recombinant nucleic acid molecules. A further part of the invention relates to oils, lipids and/or fatty acids which have been produced by the process according to the invention, and to their use. Moreover, the invention relates to unsaturated fatty acids and to triglycerides with an elevated content of unsaturated fatty acids and to their use.