3-tert-butoxy-N-(2-iodophenyl)benzamide | 1262142-05-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-tert-butoxy-N-(2-iodophenyl)benzamide
• CAS: 1262142-05-1
• 化学式: C₁₇H₁₈INO₂
• 分子量: 395.24
• InChiKey: NSFXDMXKLUJJAL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.72
• 重原子数：
  21.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  38.33
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  3-tert-butoxy-N-(2-iodophenyl)benzamide 在 palladium diacetate 、 sodium hydride 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.75h， 生成 8-tert-butoxy-5-methylphenanthridin-6(5H)-one 、 10-tert-butoxy-5-methylphenanthridin-6(5H)-one
  参考文献：
  名称：

  Regioselectivity in Direct Arylation of Benzanilide Possessing Oxygen Substituents in the Benzoyl Part Using Palladium without Phosphine Ligand

  摘要：

  The direct arylation of benzanilide (1) possessing ether oxygen(s) in benzoyl part was examined under phosphine ligand-free conditions, which afforded ortho-product (2) and para-product (3) in very similar ratio to presence of P(o-Tol)(3) conditions. This results suggest that bulkiness of palladium under phosphine-free conditions would be comparable to that of P(o-Tol)(3) conditions.

  DOI：

  10.3987/com-10-12040
• 作为产物：
  描述：

  methyl 3-tert-butoxybenzoate 、 2-碘苯胺 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 72.0h， 以83%的产率得到3-tert-butoxy-N-(2-iodophenyl)benzamide
  参考文献：
  名称：

  Regioselectivity in Direct Arylation of Benzanilide Possessing Oxygen Substituents in the Benzoyl Part Using Palladium without Phosphine Ligand

  摘要：

  The direct arylation of benzanilide (1) possessing ether oxygen(s) in benzoyl part was examined under phosphine ligand-free conditions, which afforded ortho-product (2) and para-product (3) in very similar ratio to presence of P(o-Tol)(3) conditions. This results suggest that bulkiness of palladium under phosphine-free conditions would be comparable to that of P(o-Tol)(3) conditions.

  DOI：

  10.3987/com-10-12040