2-乙酰氧基-3-甲基吡啶 | 1006-97-9

• 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
• 中文名称: 2-乙酰氧基-3-甲基吡啶
• 英文名称: 2-acetoxy-3-methylpyridine
• 英文别名: (3-Methylpyridin-2-yl) acetate
• CAS: 1006-97-9
• 化学式: C₈H₉NO₂
• 分子量: 151.165
• InChiKey: LLTGBQQTRVVISK-UHFFFAOYSA-N

物化性质

• 沸点：
  61-62 °C(Press: 0.5 Torr)
• 密度：
  1.106±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-乙酰氧基-3-甲基吡啶 在 水 作用下， 生成 2-羟基-3-甲基吡啶
  参考文献：
  名称：

  Novel oxygenation of pyridine and quinoline rings using acetyl hypofluorite

  摘要：

  DOI：

  10.1021/ja00246a052
• 作为产物：
  描述：

  3-甲基吡啶氧化物 、 乙酸酐 生成 2-乙酰氧基-3-甲基吡啶
  参考文献：
  名称：

  Rearrangements of N-Oxides. A Novel Synthesis of Pyridyl Carbinols and Aldehydes

  摘要：

  DOI：

  10.1021/ja01634a026

文献信息

• Indolizino[3,2-c]quinoline derivatives, pharmaceutically acceptable salt thereof, preparation method thereof and pharmaceutical composition for treatment of cystic fibrosis containing the same as active ingredient
  申请人：INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY

  公开号：US09296751B1

  公开（公告）日：2016-03-29

  Provided are an indolizino[3,2-c]quinoline derivative, pharmaceutically acceptable salt thereof, and a method for preparing the same. The indolizino[3,2-c]quinoline derivative, pharmaceutically acceptable salt thereof may function as an agonist of cystic fibrosis conductance transmembrane regulator, and thus may be useful for an agent for preventing or treating diseases caused by degradation of activity of cystic fibrosis conductance transmembrane regulator and for a pharmaceutical composition for stimulating proliferation of stem cells.

  提供了一种吲哚并[3,2-c]喹啉衍生物，其药用盐，以及制备该衍生物的方法。该吲哚并[3,2-c]喹啉衍生物和其药用盐可以作为囊性纤维化传导跨膜调节蛋白的激动剂，因此可用作预防或治疗由于囊性纤维化传导跨膜调节蛋白活性降解而引起的疾病的药剂，以及用于刺激干细胞增殖的药物组合物。
• Access to N-Substituted 2-Pyridones by Catalytic Intermolecular Dearomatization and 1,4-Acyl Transfer
  作者：Guangyang Xu、Ping Chen、Pei Liu、Shengbiao Tang、Xinhao Zhang、Jiangtao Sun

  DOI：10.1002/anie.201812937

  日期：2019.2.11

  A novel rhodium‐catalyzed dearomatization of O‐substituted pyridines to access N‐substituted 2‐pyridones has been developed. A computational study suggests a mechanism involving the formation of a pyridinium ylide followed by an unprecedented 1,4‐acyl migratory rearrangement from O to C. Furthermore, the chiral dirhodium complexes serve as the catalyst for the asymmetric transformation with excellent

  已经开发出了一种新型的O取代吡啶铑催化脱芳香化剂，以得到N取代的2-吡啶酮。一项计算研究表明，该机理涉及吡啶鎓叶立德的形成，然后发生前所未有的从O到C的1,4-酰基迁移重排。此外，手性吡啶鎓配合物可作为不对称转化的催化剂，并具有出色的对映选择性控制。DFT计算表明手性从轴向手性转移到中央立体中心。较强的π-π相互作用和CH-π相互作用说明了高对映选择性。
• PYRIDAZINE COMPOUND AND USE THEREOF
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP1958946A1

  公开（公告）日：2008-08-20

  A pyridazine compound of the formula: has an excellent plant disease controlling effect.

  式中的哒嗪化合物： 具有极佳的植物病害控制效果。
• Utilizing acetyl hypofluorite for chlorination, bromination, and etherification of the pyridine system
  作者：David Hebel、Shlomo Rozen

  DOI：10.1021/jo00022a016

  日期：1991.10

  Acetyl hypofluorite, which is easily made from F2, possesses a strong electrophilic fluorine. This electrophile is able to attach itself to the nitrogen atom of pyridine and activate the ring toward nucleophilic attacks. The ultimate elimination of HF results in an overall easy nucleophilic displacement of the hydrogen of the important 2-position. The nucleophiles used; Cl-delta-, Br-delta-, and RO-delta-, originate from solvents such as CH2Cl2, CH2Br2, and various primary alcohols. Thus, 2-halo- or 2-alkoxypyridines were formed. The reaction conditions (room temperature, very short reaction times, and good yields) transform the task of direct substitution of the pyridine ring from an extremely difficult to a very easy procedure.
• Oxygenation of the Unactivated Pyridine System by Acetyl Hypofluorite Made Directly from F2
  作者：Shlomo Rozen、David Hebel

  DOI：10.3987/com-88-s5

  日期：——