1-Ethoxycarbonyl-1-cyano-2-(2-methyl-1-buten-3-yl)-3-pentylcyclopropane | 139613-07-3

• 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: 1-Ethoxycarbonyl-1-cyano-2-(2-methyl-1-buten-3-yl)-3-pentylcyclopropane
• 英文别名: ethyl (1R,2R,3S)-1-cyano-2-(3-methylbut-3-en-2-yl)-3-pentylcyclopropane-1-carboxylate
• CAS: 139613-07-3
• 化学式: C₁₇H₂₇NO₂
• 分子量: 277.407
• InChiKey: VIWXOPNFQYLQJF-HAFTXULWSA-N

物化性质

• 沸点：
  364.9±25.0 °C(Predicted)
• 密度：
  0.97±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  20
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  50.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  (E)-2-methyl-2-butene-1-ylmagnesium bromide 、 E-Ethyl-(2-bromheptylidene)cyanoacetate 生成 1-Ethoxycarbonyl-1-cyano-2-(2-methyl-1-buten-3-yl)-3-pentylcyclopropane
  参考文献：
  名称：

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

  摘要：

  DOI：

文献信息

• ?-Complexes of transition metals in organic synthesis. 9. Reactions of allyl organomanganese compounds with ?-bromine derivatives of esters of ?, ?-unsaturated carboxylic acids
  作者：A. N. Kasatkin、O. Yu. Tsypyshev、T. Yu. Romanova、G. A. Tolstikov

  DOI：10.1007/bf00957998

  日期：1991.3

  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.