Naphthalene-1-carboxylic acid [(N-hydroxycarbamimidoyl)-phenyl-methyl]-amide | 878158-21-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: Naphthalene-1-carboxylic acid [(N-hydroxycarbamimidoyl)-phenyl-methyl]-amide
• CAS: 878158-21-5
• 化学式: C₁₉H₁₇N₃O₂
• 分子量: 319.363
• InChiKey: CHIIKVMXZNLEBZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.06
• 重原子数：
  24.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  87.71
• 氢给体数：
  3.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  Naphthalene-1-carboxylic acid [(N-hydroxycarbamimidoyl)-phenyl-methyl]-amide 以 甲醇 、 邻二甲苯 为溶剂， 反应 0.03h， 生成 5-Hydroxy-2-{[(naphthalene-1-carbonyl)-amino]-phenyl-methyl}-6-oxo-1,6-dihydro-pyrimidine-4-carboxylic acid methyl ester
  参考文献：
  名称：

  Efficient synthesis of functionalized pyrimidones via microwave-accelerated rearrangement reaction

  摘要：

  An efficient synthesis of functionalized pyrimidones via microwave-accelerated rearrangement reaction of amidoxime DMAD adducts is described. In most cases, the pyrimidone formation was furnished in reasonable yield after 2 min of microwave irradiation. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.12.057
• 作为产物：
  描述：

  N-[cyano(phenyl)methyl]naphthalene-1-carboxamide 在 羟胺 作用下， 以 甲醇 为溶剂， 生成 Naphthalene-1-carboxylic acid [(N-hydroxycarbamimidoyl)-phenyl-methyl]-amide
  参考文献：
  名称：

  Efficient synthesis of functionalized pyrimidones via microwave-accelerated rearrangement reaction

  摘要：

  An efficient synthesis of functionalized pyrimidones via microwave-accelerated rearrangement reaction of amidoxime DMAD adducts is described. In most cases, the pyrimidone formation was furnished in reasonable yield after 2 min of microwave irradiation. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.12.057