Methyl-3,4,4-trimethylpentanoat | 50902-74-4

• 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-3,4,4-trimethylpentanoat
• 英文别名: Methyl 3,4,4-trimethylpentanoate
• CAS: 50902-74-4
• 化学式: C₉H₁₈O₂
• 分子量: 158.241
• InChiKey: PITPSIDCKRYSOY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-(1,2,2-三甲基亚丙基)丙二腈 在 (R)-2-Phenyl-butyl-(1)-magnesiumchlorid 作用下， 以 乙醚 为溶剂， 反应 18.0h， 生成 Methyl-3,4,4-trimethylpentanoat
  参考文献：
  名称：

  Organomagnesien reactif reducteur

  摘要：

  DOI：

  10.1016/s0022-328x(00)87330-1

文献信息

• Electron-Transfer-Photosensitized Conjugate Alkylation
  作者：Maurizio Fagnoni、Mariella Mella、Angelo Albini

  DOI：10.1021/jo980093r

  日期：1998.6.1

  Photoinduced electron transfer (PET) from an aliphatic donor to a sensitizer and fragmentation of the radical cation leads to alkyl radicals. Radical alkylation of electron-withdrawing substituted alkenes and alkynes has been obtained in this way, and its scope has been explored. Effective sensitizers are tetramethyl pyromellitate (TMPM.), 1,4-dicyanonaphthalene (in combination with biphenyl, DCN/BP), and 1,2,4,5-tetracyanobenzene. Radical precursors are tetraalkylstannanes, 2,2-dialkyldioxolanes, and, less efficiently, carboxylic acids. Steady-state and flash photolysis experiments show that escape out of cage of radical ions is the main factor determining the yield of radical formation. This is efficient with triplet sensitizers such as TMPM, while with singlet sensitizers, the use of a "cosensitizer" is required, as in the DCN/BP system. Radical cations containing primary alkyl radicals escape and fragment more efficiently than those containing tertiary radicals. The thus-formed radicals are trapped by electron-withdrawing substituted alkenes, and the relative efficiency is determined by the rate of radical addition, in accord with the proposed mechanism. Among the alkynes tested, only dimethyl acetylenedicarboxylate reacts, and the order of radical reactivity is different. It is suggested that a different mechanism operates in this case and involves assistance by the alkyne to the radical cation fragmentation.
• Organomagnesien reactif reducteur
  作者：D. Cabaret、J. Capillon、J.P. Guette

  DOI：10.1016/s0022-328x(00)87330-1

  日期：1976.6