4-Ethyl-n-phenyl-4h-3,1-benzothiazin-2-amine | 870245-21-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻嗪类
• 英文名称: 4-Ethyl-n-phenyl-4h-3,1-benzothiazin-2-amine
• 英文别名: 4-ethyl-N-phenyl-4H-3,1-benzothiazin-2-amine
• CAS: 870245-21-9
• 化学式: C₁₆H₁₆N₂S
• 分子量: 268.382
• InChiKey: BNIPUYRRAOTYPP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  49.7
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  N-(o-cyclopropylphenyl)-N'-phenylthiourea 在 硫酸 作用下， 反应 1.0h， 以89%的产率得到4-Ethyl-n-phenyl-4h-3,1-benzothiazin-2-amine
  参考文献：
  名称：

  Synthesis of 2-amino-4H-3,1-benzoxazines and 2-amino-4H-3,1-benzothiazines by the rearrangement of o-cyclopropylphenylureas and o-cyclopropylphenylthioureas

  摘要：

  Syntheses are reported for 2-cyclopropylphenylureas and 2-cyclopropylphenylthioureas and the behavior of these compounds was studied under conditions for the acid-catalyzed opening of the cyclopropyl ring. Upon the action of concentrated sulfuric acid or trifluoroacetic acid, these ureas and thioureas can undergo rearrangement to the corresponding 3,1-benzoxazines and 3,1-benzothiazines.

  DOI：

  10.1007/s10593-008-0006-8

文献信息

• Synthesis of 2-amino-4H-3,1-benzoxazines and 2-amino-4H-3,1-benzothiazines by the rearrangement of o-cyclopropylphenylureas and o-cyclopropylphenylthioureas
  作者：A. N. Fedotov、E. V. Trofimova、V. A. Romanov、S. S. Mochalov、Yu. S. Shabarov、N. S. Zefirov

  DOI：10.1007/s10593-008-0006-8

  日期：2008.1

  Syntheses are reported for 2-cyclopropylphenylureas and 2-cyclopropylphenylthioureas and the behavior of these compounds was studied under conditions for the acid-catalyzed opening of the cyclopropyl ring. Upon the action of concentrated sulfuric acid or trifluoroacetic acid, these ureas and thioureas can undergo rearrangement to the corresponding 3,1-benzoxazines and 3,1-benzothiazines.