methyl 4-cyano-2,2-dimethylpentanoate | 125816-76-4

• 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: methyl 4-cyano-2,2-dimethylpentanoate
• CAS: 125816-76-4
• 化学式: C₉H₁₅NO₂
• 分子量: 169.224
• InChiKey: WGBMAVGXSWEXJN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 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：

  1-甲氧基-1-(三甲基甲硅氧基)-2-甲基-1-丙烯 、 甲基丙烯腈 在 zinc dibromide 作用下， 以 二氯甲烷 为溶剂， 以58%的产率得到methyl 4-cyano-2,2-dimethylpentanoate
  参考文献：
  名称：

  Quendo, A.; Rousseau, G., Synthetic Communications, 1989, vol. 19, # 9-10, p. 1551 - 1560

  摘要：

  DOI：

文献信息

• ——
  作者：Torsten Zytowski、Bernhard Knühl、Hanns Fischer

  DOI：10.1002/(sici)1522-2675(20000315)83:3<658::aid-hlca658>3.0.co;2-z

  日期：2000.3.15

  Absolute rate constants and some of their Arrhenius parameters were obtained by time-resolved electron spin resonance (ESR) spectroscopy for the addition of the 2-(alkoxycarbonyl)propan-2-yl and 3,3,3-trifluoroacetonyl (= 3,3,3-trifluoro-2-oxopropyl) radicals to a variety of mono- and 1,1-disubstituted alkenes. Their analysis shows that the addition of 2-(alkoxycarbonyl)propan-2-yl is mainly governed by the exothermicity of the reaction with slight modifications by nucleophilic and electrophilic effects giving rise to an overall ambiphilic behavior. In contrast, large electrophilic polar effects dominate the addition of the 3,3,3-trifluoroacetonyl (= 3,3,3-frifluoro-2-oxopropan-2-yl) radical, as it is expected from its large electron affinity. For both radicals, the activation energies are well-predicted by analytic equations for the enthalpic and polar terms. A comparison of the rate data of 2-(alkoxycarbonyl)propan-2-yl with the homo- and copolymerization rate constants of the propagating radical of methyl methacrylate shows that the additions of these structurally related low- and high-molecular-weight radicals to alkenes are governed by very similar effects.
• QUENDO, A.;ROUSSEAU, G., SYNTH. COMMUN., 19,(1989) N-10, C. 1551-1559
  作者：QUENDO, A.、ROUSSEAU, G.

  DOI：——

  日期：——
• Quendo, A.; Rousseau, G., Synthetic Communications, 1989, vol. 19, # 9-10, p. 1551 - 1560
  作者：Quendo, A.、Rousseau, G.

  DOI：——

  日期：——