Methyl-(1-phenylpropan-2-yl)azanium | 7235-24-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Methyl-(1-phenylpropan-2-yl)azanium
• 英文别名: methyl(1-phenylpropan-2-yl)azanium
• CAS: 7235-24-7
• 化学式: C₁₀H₁₅N*H
• 分子量: 150.244
• InChiKey: MYWUZJCMWCOHBA-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  16.6
• 氢给体数：
  1
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  Methyl-(1-phenylpropan-2-yl)azanium 生成 cumyl cation 、 甲胺
  参考文献：
  名称：

  Site of gas-phase methylation of l-phenyl-2-aminopropane

  摘要：

  AbstractThe regioselectivity of methyl cation transfer from (CH3)2F+, (CH3)2Cl+ and (CH3)3O+ to 1‐phenyl‐2‐aminopropane was studied by Fourier transform ion cyclotron resonance in combination with collision‐induced dissociation and neutralization‐reionization mass spectrometry of the stable [M + CH3]+ ions formed in a chemical ionization source. The (CH3)2F+ ion transfers a methyl cation to the NH2 group and the phenyl ring with almost equal probability. Predominant CH3+ transfer to the NH2 group is observed for the (CH3)2Cl+ ion whereas the (CH3)3O+ ion reacts almost exclusively at the amino group. The preference for methylation at NH2 is discussed in terms of a lower methyl cation affinity of the phenyl ring than of the amino group and the existence of an energy barrier for methylation of the phenyl moiety.

  DOI：

  10.1002/oms.1210260610
• 作为产物：
  描述：

  三甲基氧鎓 、 非那明 生成 Methyl-(1-phenylpropan-2-yl)azanium
  参考文献：
  名称：

  Site of gas-phase methylation of l-phenyl-2-aminopropane

  摘要：

  AbstractThe regioselectivity of methyl cation transfer from (CH3)2F+, (CH3)2Cl+ and (CH3)3O+ to 1‐phenyl‐2‐aminopropane was studied by Fourier transform ion cyclotron resonance in combination with collision‐induced dissociation and neutralization‐reionization mass spectrometry of the stable [M + CH3]+ ions formed in a chemical ionization source. The (CH3)2F+ ion transfers a methyl cation to the NH2 group and the phenyl ring with almost equal probability. Predominant CH3+ transfer to the NH2 group is observed for the (CH3)2Cl+ ion whereas the (CH3)3O+ ion reacts almost exclusively at the amino group. The preference for methylation at NH2 is discussed in terms of a lower methyl cation affinity of the phenyl ring than of the amino group and the existence of an energy barrier for methylation of the phenyl moiety.

  DOI：

  10.1002/oms.1210260610

文献信息

• Site of gas-phase methylation of l-phenyl-2-aminopropane
  作者：Herman Zagppey、Roel H. Fokkens、Steen Ingemann、Nico M. M. Nibbering、Helena Florencio

  DOI：10.1002/oms.1210260610

  日期：1991.6

  AbstractThe regioselectivity of methyl cation transfer from (CH3)2F+, (CH3)2Cl+ and (CH3)3O+ to 1‐phenyl‐2‐aminopropane was studied by Fourier transform ion cyclotron resonance in combination with collision‐induced dissociation and neutralization‐reionization mass spectrometry of the stable [M + CH3]+ ions formed in a chemical ionization source. The (CH3)2F+ ion transfers a methyl cation to the NH2 group and the phenyl ring with almost equal probability. Predominant CH3+ transfer to the NH2 group is observed for the (CH3)2Cl+ ion whereas the (CH3)3O+ ion reacts almost exclusively at the amino group. The preference for methylation at NH2 is discussed in terms of a lower methyl cation affinity of the phenyl ring than of the amino group and the existence of an energy barrier for methylation of the phenyl moiety.