3-dimethylamino-1-(6-phenyl-pyridin-2-yl)-propenone | 922164-01-0

• 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: 3-dimethylamino-1-(6-phenyl-pyridin-2-yl)-propenone
• 英文别名: 3-(Dimethylamino)-1-(6-phenylpyridin-2-yl)prop-2-en-1-one；3-(dimethylamino)-1-(6-phenylpyridin-2-yl)prop-2-en-1-one
• CAS: 922164-01-0
• 化学式: C₁₆H₁₆N₂O
• 分子量: 252.316
• InChiKey: LMWXCEDUUCZJPZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  33.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-dimethylamino-1-(6-phenyl-pyridin-2-yl)-propenone 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 1.0h， 生成 2-phenyl-6-(1H-pyrazol-3-yl)pyridine
  参考文献：
  名称：

  A “Molecular Pivot-Hinge” Based on the pH-Regulated Intramolecular Switching of Pt−Pt and π−π Interactions

  摘要：

  The binuclear cycloplatinated complex {[Pt(L)]2(mu-dppm)}2+ (1), where HL is a new cyclometalating ligand 2-phenyl-6-(1H-pyrazol-3-yl)pyridine, is found to behave as a molecular pivot-hinge in which the closing and opening of the hinge is effected by the reversible formation and cleavage of the Pt-Pt d8-d8 interaction and the intramolecular pi-pi interaction mediated by the protonation/deprotonation of the 1-pyrazolyl-NH on the cyclometalating ligand L.

  DOI：

  10.1021/ja066914o
• 作为产物：
  描述：

  2-乙酰基-6-苯基吡啶 、 N,N-二甲基甲酰胺二甲基缩醛 反应 18.0h， 以72%的产率得到3-dimethylamino-1-(6-phenyl-pyridin-2-yl)-propenone
  参考文献：
  名称：

  A “Molecular Pivot-Hinge” Based on the pH-Regulated Intramolecular Switching of Pt−Pt and π−π Interactions

  摘要：

  The binuclear cycloplatinated complex {[Pt(L)]2(mu-dppm)}2+ (1), where HL is a new cyclometalating ligand 2-phenyl-6-(1H-pyrazol-3-yl)pyridine, is found to behave as a molecular pivot-hinge in which the closing and opening of the hinge is effected by the reversible formation and cleavage of the Pt-Pt d8-d8 interaction and the intramolecular pi-pi interaction mediated by the protonation/deprotonation of the 1-pyrazolyl-NH on the cyclometalating ligand L.

  DOI：

  10.1021/ja066914o