1-(2-(dimethylamino)pyridin-3-yl)ethan-1-one | 1224582-70-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1-(2-(dimethylamino)pyridin-3-yl)ethan-1-one
• 英文别名: 1-[2-(dimethylamino)pyridin-3-yl]ethanone；1-[2-(Dimethylamino)pyridin-3-yl]ethanone
• CAS: 1224582-70-0
• 化学式: C₉H₁₂N₂O
• mdl: MFCD24712611
• 分子量: 164.207
• InChiKey: QHVAQGBTCSFCGC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 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：

  1-(2-(dimethylamino)pyridin-3-yl)ethan-1-one 在 titanium(IV) isopropylate 、 lithium tri-t-butoxyaluminum hydride 作用下， 以 四氢呋喃 为溶剂， 反应 28.0h， 生成 (R)-N-(1-(2-(dimethylamino)pyridin-3-yl)ethyl)-2-methylpropane-2-sulfinamide
  参考文献：
  名称：

  [EN] CDK7 SELECTIVE INHIBITORS AS ANTICANCER AGENTS
  [FR] INHIBITEURS SÉLECTIFS DE CDK7 UTILES EN TANT QU'AGENTS ANTICANCÉREUX

  摘要：

  Disclosed are a compound of formula (I), a pharmaceutically acceptable composition comprising the compound of formula (I) and methods of using said compound or composition in the treatment of various diseases or conditions.

  公开号：

  WO2023001061A1
• 作为产物：
  描述：

  2-氟-3-溴吡啶 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 作用下， 以 1,4-二氧六环 、 二甲基亚砜 为溶剂， 反应 11.0h， 生成 1-(2-(dimethylamino)pyridin-3-yl)ethan-1-one
  参考文献：
  名称：

  [EN] CDK7 SELECTIVE INHIBITORS AS ANTICANCER AGENTS
  [FR] INHIBITEURS SÉLECTIFS DE CDK7 UTILES EN TANT QU'AGENTS ANTICANCÉREUX

  摘要：

  Disclosed are a compound of formula (I), a pharmaceutically acceptable composition comprising the compound of formula (I) and methods of using said compound or composition in the treatment of various diseases or conditions.

  公开号：

  WO2023001061A1

文献信息

• Microwave-Assisted Synthesis of 3-Methylisothiazolo[5,4-b]pyridine and Various 2-Amino Derivatives of Thieno[2,3-b]pyridine and 1-(2-Aminopyridin-3-yl)ethanone
  作者：Edward R. Biehl、Haribabu Ankati

  DOI：10.3987/com-09-s(s)119

  日期：——

  Various 2-amino derivatives of thieno[2,3-b]pyridin-2-amine (3a-g) were prepared in fair to good yields (30-76%) by subjecting 1-(2-chloropyridin-3-yl)ethanone (1) and appropriate primary amine (2a-g) to microwave heating at 90-120 degrees C for 15-20 min in the presence of elemental sulfur, NaOAc, and DMF. Lower yields (4-15%) of the secondary 2-amino derivatives of 1-(pyridin-3-yl)ethanone product (4a-g) were also obtained. However, when the microwave-assisted reactions were carried out on primary (2b-h) and secondary amines (2i-o) in the absence of elemental S at 100-200 degrees C for 15-20 min, the respective secondary 2-amines (4b-h) and tertiary 2-amines (4i-o) of 1-(pyridin-3-yl)ethanones were obtained in good to excellent yields (61-98%). Finally, when 1 subjected to microwave heating at 120 degrees C for 15 min in the presence of elemental sulfur, NH(4)Cl, NaOAc, and DMF, 3-methyl-isothiazolo[5,4-b]pyridine (5) was obtained in 79% yield. Possible mechanisms for the formation of compounds 3-5 are presented.
• [EN] CDK7 SELECTIVE INHIBITORS AS ANTICANCER AGENTS<br/>[FR] INHIBITEURS SÉLECTIFS DE CDK7 UTILES EN TANT QU'AGENTS ANTICANCÉREUX
  申请人：[en]JINGRUI BIOPHARMA CO., LTD.

  公开号：WO2023001061A1

  公开（公告）日：2023-01-26

  Disclosed are a compound of formula (I), a pharmaceutically acceptable composition comprising the compound of formula (I) and methods of using said compound or composition in the treatment of various diseases or conditions.