2-(α-trideuteriomethyl)ethylpyridine | 135735-45-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-(α-trideuteriomethyl)ethylpyridine
• CAS: 135735-45-4
• 化学式: C₈H₁₁N
• 分子量: 124.158
• InChiKey: PFYPDUUXDADWKC-FIBGUPNXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.21
• 重原子数：
  9.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  12.89
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  2-乙基吡啶 、 氘代碘甲烷 在 lithiating agent 作用下， 生成 2-(α-trideuteriomethyl)ethylpyridine
  参考文献：
  名称：

  Mass spectra of 2- and/or 6-alkyl-3-hydroxypyridines

  摘要：

  AbstractThe mass spectra of 2‐ and/or 6‐aIkyI‐3‐hydroxypyridines were measured. The fragmentation processes include the loss of 1, 28 and 29 u and RCN from the molecular ions. Among the characteristic ions, the [M – 1]+ ions are the base peak for all of the ethyl‐containing pyridines. According to a labelling study, the hydrogen on the β‐caroon is the major contributor to the formation of [M – 1]+.

  DOI：

  10.1002/oms.1210260609

文献信息

• Mass spectra of 2- and/or 6-alkyl-3-hydroxypyridines
  作者：Shaw-Tao Lin、Ling-Ling Tien、Yueh-Hsiung Kuo、Kae-Shyang Shih

  DOI：10.1002/oms.1210260609

  日期：1991.6

  AbstractThe mass spectra of 2‐ and/or 6‐aIkyI‐3‐hydroxypyridines were measured. The fragmentation processes include the loss of 1, 28 and 29 u and RCN from the molecular ions. Among the characteristic ions, the [M – 1]+ ions are the base peak for all of the ethyl‐containing pyridines. According to a labelling study, the hydrogen on the β‐caroon is the major contributor to the formation of [M – 1]+.