1-methyl-4-phenyl-3,6-dihydro-2-pyridone-6,6-d2 | 176514-84-4

• 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: 1-methyl-4-phenyl-3,6-dihydro-2-pyridone-6,6-d2
• 英文别名: 6,6-dideuterio-1-methyl-4-phenyl-3H-pyridin-2-one
• CAS: 176514-84-4
• 化学式: C₁₂H₁₃NO
• 分子量: 189.225
• InChiKey: ONDDOFQXDGZVTR-MGVXTIMCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-methyl-4-phenyl-3,6-dihydro-2-pyridone-6,6-d2 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 反应 0.75h， 生成 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine-6,6-d2
  参考文献：
  名称：

  Regioselective synthesis of deuterated analogs of the neurotoxin MPTP

  摘要：

  1-Methyl-4-phenyl-2-pyridone has been used as starting material for the efficient and regioselective synthesis of deuterated analogues of the neurotoxin 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP). MPTP-2,2-d(2), MPTP-6,6-d(2) and MPTP-2,2,6,6-d(4) were obtained in good yield through a combination of alkaline deuterium exchange and selective LiAlH4 and LiAlD4 reduction reactions.

  DOI：

  10.1002/(sici)1099-1344(199603)38:3<255::aid-jlcr835>3.0.co;2-0
• 作为产物：
  描述：

  1-甲基-4-苯基-2(1H)-吡啶酮 在 lithium aluminium deuteride 、 氘氧化钠 、 重水 作用下， 以 四氢呋喃 、 氘代甲醇 为溶剂， 反应 50.5h， 生成 1-methyl-4-phenyl-3,6-dihydro-2-pyridone-6,6-d2
  参考文献：
  名称：

  Regioselective synthesis of deuterated analogs of the neurotoxin MPTP

  摘要：

  1-Methyl-4-phenyl-2-pyridone has been used as starting material for the efficient and regioselective synthesis of deuterated analogues of the neurotoxin 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP). MPTP-2,2-d(2), MPTP-6,6-d(2) and MPTP-2,2,6,6-d(4) were obtained in good yield through a combination of alkaline deuterium exchange and selective LiAlH4 and LiAlD4 reduction reactions.

  DOI：

  10.1002/(sici)1099-1344(199603)38:3<255::aid-jlcr835>3.0.co;2-0

文献信息

• Regioselective synthesis of deuterated analogs of the neurotoxin MPTP
  作者：Stéphane Mabic、Neal Castagnoli

  DOI：10.1002/(sici)1099-1344(199603)38:3<255::aid-jlcr835>3.0.co;2-0

  日期：1996.3

  1-Methyl-4-phenyl-2-pyridone has been used as starting material for the efficient and regioselective synthesis of deuterated analogues of the neurotoxin 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP). MPTP-2,2-d(2), MPTP-6,6-d(2) and MPTP-2,2,6,6-d(4) were obtained in good yield through a combination of alkaline deuterium exchange and selective LiAlH4 and LiAlD4 reduction reactions.