4-methylcyclohexylmethyltrimethylsilane | 60114-49-0

• 分子结构分类: 有机化合物 - 碳氢化合物衍生物
• 英文名称: 4-methylcyclohexylmethyltrimethylsilane
• 英文别名: 1-Trimethylsilylmethyl-4-methyl-cyclohexan；1-Trimethylsilylmethyl-4-methylcyclohexane；trimethyl-[(4-methylcyclohexyl)methyl]silane
• CAS: 60114-49-0
• 化学式: C₁₁H₂₄Si
• 分子量: 184.397
• InChiKey: DJRAIIZAPJKDIY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.15
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 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：

  4-甲基环己烷甲酸 在 lithium aluminium tetrahydride 、 溴 、 magnesium 、 三苯基膦 作用下， 以 乙醚 为溶剂， 生成 4-methylcyclohexylmethyltrimethylsilane
  参考文献：
  名称：

  Conformational preferences of some substituted methyl groups in cyclohexanes as studied by carbon-13 nuclear magnetic resonance

  摘要：

  AbstractLow temperature 13C NMR spectra of 80:20 mixtures of cis and trans‐4CH3CH3C6H10CH2X, where C6H10‐is 1, 4‐disubtituted cyclohexyl and X=Br, CN, OH, OCH3, Si(CH3)3, Sn(CH3)3, Pb(CH3)3 and HgOCOCH3 have been recorded. The signals of the trans (e, e) components were assigned from the ambient temperature spectra of C6H11CH2X and the established substituent effects of an equatorial methyl group in cyclohexane. Conformational equilibria of the cis (e, a⇄a, e) components were then computed from the intensities of the (remaining) signals (∼180 K) of the two conformational isomers. From these equilibria A values of CH2X were calculated, assuming additivity of conformational energies of CH3 and CH2X (the counter‐poise approach). In general, these values are very similar to the value of the CH3, although some trends do emerge. This study provides α, β, γ, and δ effects for a wide range of axial and equatorial CH2X groups.

  DOI：

  10.1002/mrc.1270150304

文献信息

• The hydroalumination reaction for some alkenyltrimethylsilanes with diisobutylaluminum hydride
  作者：V. P. Yur'ev、G. A. Gailyunas、F. G. Yusupova、G. A. Tolstikov、I. Kh. Aminev

  DOI：10.1007/bf00922394

  日期：1976.4
• Conformational preferences of some substituted methyl groups in cyclohexanes as studied by carbon-13 nuclear magnetic resonance
  作者：William Kitching、Henry Olszowy、William Adcock

  DOI：10.1002/mrc.1270150304

  日期：1981.3

  AbstractLow temperature 13C NMR spectra of 80:20 mixtures of cis and trans‐4CH3CH3C6H10CH2X, where C6H10‐is 1, 4‐disubtituted cyclohexyl and X=Br, CN, OH, OCH3, Si(CH3)3, Sn(CH3)3, Pb(CH3)3 and HgOCOCH3 have been recorded. The signals of the trans (e, e) components were assigned from the ambient temperature spectra of C6H11CH2X and the established substituent effects of an equatorial methyl group in cyclohexane. Conformational equilibria of the cis (e, a⇄a, e) components were then computed from the intensities of the (remaining) signals (∼180 K) of the two conformational isomers. From these equilibria A values of CH2X were calculated, assuming additivity of conformational energies of CH3 and CH2X (the counter‐poise approach). In general, these values are very similar to the value of the CH3, although some trends do emerge. This study provides α, β, γ, and δ effects for a wide range of axial and equatorial CH2X groups.