ethyl (2E)-4-ethyl-2-methyloctenoate | 216519-98-1

• 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: ethyl (2E)-4-ethyl-2-methyloctenoate
• 英文别名: (+/-)-4-ethyl-2-methyl-oct-2t-enoic acid ethyl ester；(+/-)-4-Aethyl-2-methyl-oct-2t-ensaeure-aethylester；ethyl (E)-4-ethyl-2-methyloct-2-enoate
• CAS: 216519-98-1
• 化学式: C₁₃H₂₄O₂
• 分子量: 212.332
• InChiKey: NKGSPUNEIRPKER-ZHACJKMWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  15
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.77
• 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：

  ethyl (2E)-4-ethyl-2-methyloctenoate 、 monosodium salt of ethylene glycol 、 乙二醇 生成 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  BRANCHED-CHAIN FATTY ACIDS. XXXII. SYNTHESIS AND ISOMERIZATION OF α,γ-DIALKYL-α,β-UNSATURATED ESTERS¹

  摘要：

  DOI：

  10.1021/jo01128a019
• 作为产物：
  描述：

  (+/-)-4-ethyl-2-methyl-oct-2t-enoic acid 、 乙醇 在 硫酸 作用下， 生成 ethyl (2E)-4-ethyl-2-methyloctenoate
  参考文献：
  名称：

  BRANCHED-CHAIN FATTY ACIDS. XXXII. SYNTHESIS AND ISOMERIZATION OF α,γ-DIALKYL-α,β-UNSATURATED ESTERS¹

  摘要：

  DOI：

  10.1021/jo01128a019

文献信息

• <i>Z</i>-Selective Horner−Wadsworth−Emmons Reaction of α-Substituted Ethyl (Diarylphosphono)acetates with Aldehydes¹
  作者：Kaori Ando

  DOI：10.1021/jo981337a

  日期：1998.11.1

  New Horner-Wadsworth-Emmons reagents, ethyl 2-(diarylphosphono)propionates (2), ethyl 2-(diarylphosphono)hexanoates (3), and ethyl 2-(diarylphosphono)-3-methylbutanoates (4) were prepared by alkylation of ethyl (diarylphosphono)acetates. The reaction of 2-4 with various types of aldehydes gave Z-alpha,beta-dialkyl-alpha,beta-unsaturated esters highly selectively. Remarkable temperature-dependent selectivity was observed in the reaction of (PhO)(2)P(O)CHBuCO2Et with octyl aldehyde.
• BRANCHED-CHAIN FATTY ACIDS. XXXII. SYNTHESIS AND ISOMERIZATION OF α,γ-DIALKYL-α,β-UNSATURATED ESTERS¹
  作者：JAMES CASON、KENNETH L. RINEHART

  DOI：10.1021/jo01128a019

  日期：1955.11