4-(3-Methoxy-benzyloxy)-1H-pyridin-2-one | 191090-77-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-(3-Methoxy-benzyloxy)-1H-pyridin-2-one
• 英文别名: 4-[(3-methoxyphenyl)methoxy]-1H-pyridin-2-one
• CAS: 191090-77-4
• 化学式: C₁₃H₁₃NO₃
• 分子量: 231.251
• InChiKey: DDYHVKKPPHDTJP-UHFFFAOYSA-N

物化性质

• 沸点：
  496.0±45.0 °C(Predicted)
• 密度：
  1.21±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  47.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(3-Methoxy-benzyloxy)-1H-pyridin-2-one 以 solid 为溶剂， 反应 0.5h， 生成 5-(3-Methoxy-benzyloxy)-2-aza-bicyclo[2.2.0]hex-5-en-3-one
  参考文献：
  名称：

  Crystal engineering for absolute asymmetric synthesis through the use of meta-substttuted aryl groups

  摘要：

  A significant tendency towards crystallization in chiral space groups has been found for 4-benzyloxy-2-pyridones whose phenyl groups are meta-substituted (m-Cl, m-Br, m-Me and m-OMe). Irradiation of single crystals of three of these materials leads to optically active beta-lactam derivatives in high chemical and optical yields via an allowed disrotatory electrocyclization. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)00615-1
• 作为产物：
  描述：

  Acetic acid 4-(3-methoxy-benzyloxy)-pyridin-2-yl ester 在 甲醇 作用下， 生成 4-(3-Methoxy-benzyloxy)-1H-pyridin-2-one
  参考文献：
  名称：

  Crystal engineering for absolute asymmetric synthesis through the use of meta-substttuted aryl groups

  摘要：

  A significant tendency towards crystallization in chiral space groups has been found for 4-benzyloxy-2-pyridones whose phenyl groups are meta-substituted (m-Cl, m-Br, m-Me and m-OMe). Irradiation of single crystals of three of these materials leads to optically active beta-lactam derivatives in high chemical and optical yields via an allowed disrotatory electrocyclization. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)00615-1