7-Methyl-4-methylidene-5-propyldecane | 1585963-38-7

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: 7-Methyl-4-methylidene-5-propyldecane
• CAS: 1585963-38-7
• 化学式: C₁₅H₃₀
• 分子量: 210.403
• InChiKey: SVVHDWSGCLAOJJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  15
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  戊烯 在 C₄₂H₅₇NO₂Ti 、 三(五氟苯基)硼烷 作用下， 反应 2.0h， 生成 7-Methyl-4-methylidene-5-propyldecane
  参考文献：
  名称：

  Lewis Acid Promoted Titanium Alkylidene Formation: Off-Cycle Intermediates Relevant to Olefin Trimerization Catalysis

  摘要：

  Two new precatalysts for ethylene and a-olefin trimerization, (FI)Ti(CH2SiMe3)(2)Me and (FI)Ti(CH2CMe3)(2)Me (FI = phenoxy-imine), have been synthesized and structurally characterized by X-ray diffraction. (FI)Ti(CH2SiMe3)(2)Me can be activated with 1 equiv of B(C6F5)(3) at room temperature to give the solvent-separated ion pair [(FI)Ti(CH2SiMe3)(2)][MeB(C6F5)(3)], which catalytically trimerizes ethylene or 1-pentene to produce 1-hexene or C-15 olefins, respectively. The neopentyl analogue (FI)Ti(CH2CMe3)(2)Me is unstable toward activation with B(C6F5)(3) at room temperature, giving no discernible diamagnetic titanium complexes, but at -30 degrees C the following can be observed by NMR spectroscopy: (i) formation of the bis-neopentyl cation [(FI)Ti(CH2CMe3)(+), (ii) alpha-elimination of neopentane to give the neopentylidene complex [(FI)Ti(=CHCMe3)](+), and (iii) subsequent conversion to the imido-olefin complex [(MeOAr2N=)-Ti(OArHC=CHCMe3)](+) via an intramolecular metathesis reaction with the imine fragment of the (FI) ligand. If the reaction is carried out at low temperature in the presence of ethylene, catalytic production of 1-hexene is observed, in addition to the titanacyclobutane complex [(FI)Ti(CH(CMe3)CH2CH2)](+), resulting from addition of ethylene to the neopentylidene [(FI)Ti(=CHCMe3)](+). None of the complexes observed spectroscopically subsequent to [(FI)Ti(CH2CMe3)(2)](+) is an intermediate or precursor for ethylene trimerization, but notwithstanding these off-cycle pathways, [(FI)Ti(CH2CMe3)(+) is a precatalyst that undergoes rapid initiation to generate a catalyst for trimerizing ethylene or 1-pentene.

  DOI：

  10.1021/ja5055687