2-azido-N-(1,3-benzodioxol-5-ylmethyl)-N-benzoyl-3-methylbenzamide | 428817-09-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: 2-azido-N-(1,3-benzodioxol-5-ylmethyl)-N-benzoyl-3-methylbenzamide
• CAS: 428817-09-8
• 化学式: C₂₃H₁₈N₄O₄
• 分子量: 414.42
• InChiKey: KYNBVGFOWSUFCT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  70.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-azido-N-(1,3-benzodioxol-5-ylmethyl)-N-benzoyl-3-methylbenzamide 在 polystyrene resin bounded phosphine 作用下， 以 甲苯 为溶剂， 以73%的产率得到3-Benzo[1,3]dioxol-5-ylmethyl-8-methyl-2-phenyl-3H-quinazolin-4-one
  参考文献：
  名称：

  Parallel fluorous biphasic synthesis of 3 H -quinazolin-4-ones by an Aza-Wittig reaction employing perfluoroalkyl-tagged triphenylphosphine

  摘要：

  A perfluoroalkyl-tagged triphenylphosphine eras applied in a fluorous biphasic system for the efficient parallel synthesis of 3H-quinazolin-4-ones via an Aza-Wittig reaction. The products were isolated by solid-phase extraction on fluorous reversed-phase silica gel. A new solid-phase bound phosphine derivative was used for comparison and yielded similar results. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)02279-1
• 作为产物：
  描述：

  2-氨基-3-甲基苯甲酸 在 盐酸 、 氯化亚砜 、 lithium diisopropyl amide 、 sodium nitrite 作用下， 生成 2-azido-N-(1,3-benzodioxol-5-ylmethyl)-N-benzoyl-3-methylbenzamide
  参考文献：
  名称：

  Parallel fluorous biphasic synthesis of 3 H -quinazolin-4-ones by an Aza-Wittig reaction employing perfluoroalkyl-tagged triphenylphosphine

  摘要：

  A perfluoroalkyl-tagged triphenylphosphine eras applied in a fluorous biphasic system for the efficient parallel synthesis of 3H-quinazolin-4-ones via an Aza-Wittig reaction. The products were isolated by solid-phase extraction on fluorous reversed-phase silica gel. A new solid-phase bound phosphine derivative was used for comparison and yielded similar results. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)02279-1

文献信息

• Parallel fluorous biphasic synthesis of 3 H -quinazolin-4-ones by an Aza-Wittig reaction employing perfluoroalkyl-tagged triphenylphosphine
  作者：Sophie Barthélémy、Siegfried Schneider、Willi Bannwarth

  DOI：10.1016/s0040-4039(01)02279-1

  日期：2002.1

  A perfluoroalkyl-tagged triphenylphosphine eras applied in a fluorous biphasic system for the efficient parallel synthesis of 3H-quinazolin-4-ones via an Aza-Wittig reaction. The products were isolated by solid-phase extraction on fluorous reversed-phase silica gel. A new solid-phase bound phosphine derivative was used for comparison and yielded similar results. (C) 2002 Elsevier Science Ltd. All rights reserved.