N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopropanecarboxamide | 905810-74-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并二恶烷
• 英文名称: N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopropanecarboxamide
• CAS: 905810-74-4
• 化学式: C₁₆H₁₉NO₄
• 分子量: 289.331
• InChiKey: VALHEXZPZHMYAO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  64.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopropanecarboxamide 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 以82%的产率得到N-[7-(1-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopropanecarboxamide
  参考文献：
  名称：

  Synthesis of cyclopropyl-substituted 4H-3,1-benzoxazines from 2-amino-phenyl cyclopropyl ketones and 2-cyclopropanoylaminoacylbenzenes

  摘要：

  2- and 4-cyclopropyl- and 2,4-dicyclopropyl-substituted 4H-3,1-benzoxazines were synthesized by the intramolecular acid catalyzed heterocyclization of ortho-acylamino-substituted benzyl alcohols, obtained from 2-aminophenyl cyclopropyl ketones and 2-cyclopropanoylaminoacylbenzenes.

  DOI：

  10.1007/s10593-009-0251-5
• 作为产物：
  描述：

  6-amino-7-isobutyroyl-1,4-benzodioxane 、 环丙基甲酰氯 在 sodium hydroxide 作用下， 以 1,4-二氧六环 、 水 为溶剂， 以81%的产率得到N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopropanecarboxamide
  参考文献：
  名称：

  Synthesis of cyclopropyl-substituted 4H-3,1-benzoxazines from 2-amino-phenyl cyclopropyl ketones and 2-cyclopropanoylaminoacylbenzenes

  摘要：

  2- and 4-cyclopropyl- and 2,4-dicyclopropyl-substituted 4H-3,1-benzoxazines were synthesized by the intramolecular acid catalyzed heterocyclization of ortho-acylamino-substituted benzyl alcohols, obtained from 2-aminophenyl cyclopropyl ketones and 2-cyclopropanoylaminoacylbenzenes.

  DOI：

  10.1007/s10593-009-0251-5

文献信息

• Synthesis of cyclopropyl-substituted 4H-3,1-benzoxazines from 2-amino-phenyl cyclopropyl ketones and 2-cyclopropanoylaminoacylbenzenes
  作者：S. S. Mochalov、M. I. Khasanov、N. S. Zefirov

  DOI：10.1007/s10593-009-0251-5

  日期：2009.2

  2- and 4-cyclopropyl- and 2,4-dicyclopropyl-substituted 4H-3,1-benzoxazines were synthesized by the intramolecular acid catalyzed heterocyclization of ortho-acylamino-substituted benzyl alcohols, obtained from 2-aminophenyl cyclopropyl ketones and 2-cyclopropanoylaminoacylbenzenes.