3-acetyl-4-phenylpyridine | 87673-00-5

• 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-acetyl-4-phenylpyridine
• 英文别名: 4-Phenyl-3-acetylpyridine；1-(4-Phenylpyridin-3-yl)ethanone
• CAS: 87673-00-5
• 化学式: C₁₃H₁₁NO
• 分子量: 197.236
• InChiKey: PXSWQYVVRGOOJP-UHFFFAOYSA-N

物化性质

• 沸点：
  354.8±30.0 °C(Predicted)
• 密度：
  1.098±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  30
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-acetyl-4-phenylpyridine 在 一水合肼 、 potassium hydroxide 作用下， 以 四氢呋喃 、 乙醇 、 水 为溶剂， 反应 3.0h， 生成 4-[3-(4-chlorophenyl)-5-(4-phenyl-3-pyridyl)-3,4-dihydropyrazol-2-yl]-3,3-difluoro-4-oxobutanoic acid
  参考文献：
  名称：

  [EN] GLUN2 SUBUNIT SELECTIVE ANTAGONISTS OF THE N-METHYL-D-ASPARTATE RECEPTORS
  [FR] ANTAGONISTES SÉLECTIFS DE LA SOUS-UNITÉ GLUN2 DES RÉCEPTEURS DU N-MÉTHYL-D-ASPARTATE

  摘要：

  Compounds that selectively inhibit the GluN2 subunits of NMDA receptors are disclosed. In general, the compounds have superior activity against GluN2C/D subunit(s) over GluN2A/B subunit(s). Optionally, the compounds have a structure of Formulas (I), (II), (III), or other formulas disclosed herein, enantiomers or diastereomers thereof, or pharmaceutically acceptable salts thereof. Pharmaceutical formulations containing one or more of the compounds are also disclosed. Additionally, methods of treating a neurological condition or disorder using the compounds or their pharmaceutical formulations thereof are disclosed. Exemplary neurological conditions or disorders include Parkinson's disease, dystonia and related motor disorders, depression, neuropsychiatric indications, stoke, hypoxia, traumatic brain injury, acute injuries involving the white matter, Alzheimer's disease, compulsivity and related disorders, and epilepsy.

  公开号：

  WO2022226161A1
• 作为产物：
  描述：

  3-乙酰基吡啶 在 copper(l) iodide 、 二甲基硫 、 sulfur 作用下， 以 萘烷 为溶剂， 反应 7.17h， 生成 3-acetyl-4-phenylpyridine
  参考文献：
  名称：

  Comins, Daniel L.; Stroud, Eric D., Heterocycles, 1986, vol. 24, # 11, p. 3199 - 3201

  摘要：

  DOI：

文献信息

• Shiao, Min-Jen; Chia, Win-Long; Shing, Tai-Li, Journal of Chemical Research, Miniprint, 1992, p. 2101 - 2121
  作者：Shiao, Min-Jen、Chia, Win-Long、Shing, Tai-Li、Chow, Tahsin J.

  DOI：——

  日期：——
• Comins, Daniel L.; Stroud, Eric D., Heterocycles, 1986, vol. 24, # 11, p. 3199 - 3201
  作者：Comins, Daniel L.、Stroud, Eric D.

  DOI：——

  日期：——
• Preparation of Aza-Polycyclic Aromatic Compounds via Superelectrophilic Cyclizations
  作者：Ang Li、Thomas M. Gilbert、Douglas A. Klumpp

  DOI：10.1021/jo8003474

  日期：2008.5.1

  [GRPHICS]Alkenyl-substituted N-heterocycles react in superacidic CF3SO3H (triflic acid) to produce dicationic intermediates. These superelectrophiles undergo cyclizations to give varied aza-polycyclic aromatic compounds in generally good yields (27-99%, 16 examples). Theoretical calculations indicate a preference for charge-separated dicationic intermediates.
• Charge Migration in Dicationic Electrophiles and Its Application to the Synthesis of Aza-polycyclic Aromatic Compounds
  作者：Ang Li、Patrick J. Kindelin、Douglas A. Klumpp

  DOI：10.1021/ol060125u

  日期：2006.3.1

  Superacid-promoted reactions of dicationic electrophiles have been studied, and the positive charge centers are found to migrate apart in a predictable manner. Using isotopic labeling the charge migration is found in one system to occur through successive deprotonation-reprotonation steps. The charge migration chemistry is the basis for new general synthetic route to aza-polycyclic aromatic compounds.
• Synthesis of 3-acylpyridines utilizing a friedel-crafts reaction
  作者：Daniel L. Comins、Nathan B. Mantlo

  DOI：10.1016/s0040-4039(00)94508-8

  日期：1983.1