Ethyl Ester of 2,4,5-Trimethyl-3-bromomethyl-5-hexenoic Acid | 139605-18-8

• 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 Ester of 2,4,5-Trimethyl-3-bromomethyl-5-hexenoic Acid
• 英文别名: ethyl 3-(bromomethyl)-2,4,5-trimethylhex-5-enoate
• CAS: 139605-18-8
• 化学式: C₁₂H₂₁BrO₂
• 分子量: 277.202
• InChiKey: KZTZGFDTIQDQFR-UHFFFAOYSA-N

物化性质

• 沸点：
  304.0±35.0 °C(Predicted)
• 密度：
  1.158±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.41
• 重原子数：
  15.0
• 可旋转键数：
  6.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  Ethyl esters of 4-bromoisoangelic acid + 4-bromoangelic acid 、 2-methyl-2-butenylmanganese chloride 以 四氢呋喃 为溶剂， 以38%的产率得到Ethyl Ester of 2,4,5-Trimethyl-3-bromomethyl-5-hexenoic Acid
  参考文献：
  名称：

  ?-Complexes of transition metals in organic synthesis. 9. Reactions of allyl organomanganese compounds with ?-bromine derivatives of esters of ?, ?-unsaturated carboxylic acids

  摘要：

  The allyl Mn(II) organic compounds R1CH = C(R2)CH2MnCl (R1 = H, Me; R2 = H, Me, Bu), obtained in situ from Grignard reagents and Li2MnCl4, react with esters of 4-bromocrotonic, (2-bromobutylidene)-, (4-bromo-2-butenylidene)-, (2-bromoisobutylidene)malonic, and (2-bromoheptylidene)cyanoacetic acids in THF at -78 to +20-degrees-C to give derivatives of substituted cyclopropanecarboxylic or cyclopropane-1,1-dicarboxylic acids. These derivatives contain a fragment of the allyl type. When ethers of 2-(bromomethyl)acrylic, 4-bromo-2-methyl-, and 4-bromo-3-methyl-2-butenoic acids are used, cross-combination products result.

  DOI：

  10.1007/bf00957998

文献信息

• KASATKIN, A. N.;TSYPYSHEV, O. YU.;ROMANOVA, T. YU.;TOLSTIKOV, G. A., IZV. AN CCCP. CEP. XIM.,(1991) N, S. 656-663
  作者：KASATKIN, A. N.、TSYPYSHEV, O. YU.、ROMANOVA, T. YU.、TOLSTIKOV, G. A.

  DOI：——

  日期：——