2-Phenyl-4-propyl-4H-3,1-benzoxazine | 1224733-78-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 2-Phenyl-4-propyl-4H-3,1-benzoxazine
• 英文别名: 2-phenyl-4-propyl-4H-3,1-benzoxazine
• CAS: 1224733-78-1
• 化学式: C₁₇H₁₇NO
• 分子量: 251.328
• InChiKey: ZDOMIKLEEZPTAK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  21.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  N-[2-(Cyclopropylmethyl)phenyl]benzamide 在 三氟乙酸 作用下， 以69%的产率得到2-Phenyl-4-propyl-4H-3,1-benzoxazine
  参考文献：
  名称：

  4H-3,1-benzoxazines from benzyl cyclopropanes. First example of acid catalyzed rearrangement in ortho-substituted benzylcyclo-propanes

  摘要：

  The synthesis of 2-N-acylamino-substituted benzylcyclopropanes has been carried out. It was established that under the action of acids 2-N-acylamino-substituted benzylcyclopropanes are rearranged into the corresponding 4H-3,1-benzoxazines and not into the expected 3,1-benzoxazepines. It was shown that a similar type of rearrangement is also characteristic for 2-N-acylamino-substituted allylbenzenes.

  DOI：

  10.1007/s10593-009-0400-x

文献信息

• 4H-3,1-benzoxazines from benzyl cyclopropanes. First example of acid catalyzed rearrangement in ortho-substituted benzylcyclo-propanes
  作者：E. V. Trofimova、B. P. Archegov、A. N. Fedotov、R. A. Gazzaeva、S. S. Mochalov、N. S. Zefirov

  DOI：10.1007/s10593-009-0400-x

  日期：2009.9

  The synthesis of 2-N-acylamino-substituted benzylcyclopropanes has been carried out. It was established that under the action of acids 2-N-acylamino-substituted benzylcyclopropanes are rearranged into the corresponding 4H-3,1-benzoxazines and not into the expected 3,1-benzoxazepines. It was shown that a similar type of rearrangement is also characteristic for 2-N-acylamino-substituted allylbenzenes.