| 148587-27-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 148587-27-3
• 化学式: C₁₅H₂₁N₃O₃
• 分子量: 291.35
• InChiKey: OVVTWSYCSWSUFI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.62
• 重原子数：
  21.0
• 可旋转键数：
  8.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  76.45
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  在 potassium carbonate 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 生成 5-(1-Methoxy-1-methyl-ethoxy)-1,2,4,5-tetrahydro-benzo[b]azepin-3-one
  参考文献：
  名称：

  Application of ene-like reactions of aldehydes with vinyl ethers: Facile assembly of benzazocenone intermediates for mitomycinoids

  摘要：

  Benzazocenone intermediates for mitomycinoids are now available in only six steps. Key phases of this sequence include the ene-like reaction of 2-methoxypropene with a 2-azidophenyacetaldehyde and a novel heterocyclic ring formation/expansion reaction. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)00933-7
• 作为产物：
  描述：

  2-甲氧基丙烯 、 2-叠氮基苯甲醛 在 tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato)ytterbium silica gel 、 溶剂黄146 作用下， 以 二氯甲烷 为溶剂， 以97%的产率得到
  参考文献：
  名称：

  A remarkable ene-like reaction: Development and synthetic applications

  摘要：

  A catalytic ene-like reaction of aldehydes with those vinyl ethers that display the oxygen functionality at the central carbon of an allylic system, e.g., 2-methoxypropene, is discussed in detail. The reaction is promoted by 0.05 eguiv. of the 1:1 complex of Yb(fod)(3) and acetic acid, and it is forms the centerpiece of our synthesis of chlorovulone II, mitomycinoids and phyllanthocin. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)01016-8

文献信息

• Yb(fod)3-promoted ene reaction of aldehydes with vinyl ethers
  作者：Melissa V. Deaton、Marco A. Ciufolini

  DOI：10.1016/s0040-4039(00)60428-8

  日期：1993.4

  Catalytic amounts of Yb(fod)3 catalyze a bimolecular ene-like reaction between ordinary aldehydes and vinyl ethers, in which the oxygen functionality is located at the central carbon of an allylic system, These reactions proceed at room temperature in high yield.