1-(2,4-dichloro-5-nitrophenyl)-2,2-dimethylpropan-1-one | 1274905-28-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(2,4-dichloro-5-nitrophenyl)-2,2-dimethylpropan-1-one
• 英文别名: 1-(2,4-Dichloro-5-nitrophenyl)-2,2-dimethylpropan-1-one
• CAS: 1274905-28-0
• 化学式: C₁₁H₁₁Cl₂NO₃
• 分子量: 276.119
• InChiKey: IVPAXRGOVGGAHD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  62.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(2,4-dichloro-5-nitrophenyl)-2,2-dimethylpropan-1-one 在 盐酸 、 三氟化硼乙醚 、 tin(ll) chloride 作用下， 以 乙醇 、 环己烷 、 水 为溶剂， 反应 1.0h， 生成 1-(5-(tert-butylamino)-2,4-dichlorophenyl)-2,2-dimethylpropan-1-one
  参考文献：
  名称：

  Synthesis of Polycyclic Molecules by Double C(sp²)−H/C(sp³)−H Arylations with a Single Palladium Catalyst

  摘要：

  Polycyclic molecules were obtained in good yields by double C(sp(2))-H/C(sp(3))-H arylations mediated by a single palladium/phosphine catalyst. Both double intermoleculadintramolecular and intramoleculadintramolecular C-C couplings were performed successfully, which indicates that this concept has a broad applicability for the rapid construction of molecular complexity.

  DOI：

  10.1021/ol200329e
• 作为产物：
  描述：

  1-(2,4-二氯苯基)-2,2-二甲基-1-丙酮 在 硫酸 、 硝酸 作用下， 以 水 为溶剂， 反应 1.0h， 以78%的产率得到1-(2,4-dichloro-5-nitrophenyl)-2,2-dimethylpropan-1-one
  参考文献：
  名称：

  Synthesis of Polycyclic Molecules by Double C(sp²)−H/C(sp³)−H Arylations with a Single Palladium Catalyst

  摘要：

  Polycyclic molecules were obtained in good yields by double C(sp(2))-H/C(sp(3))-H arylations mediated by a single palladium/phosphine catalyst. Both double intermoleculadintramolecular and intramoleculadintramolecular C-C couplings were performed successfully, which indicates that this concept has a broad applicability for the rapid construction of molecular complexity.

  DOI：

  10.1021/ol200329e

文献信息

• Synthesis of Polycyclic Molecules by Double C(sp²)−H/C(sp³)−H Arylations with a Single Palladium Catalyst
  作者：Cathleen Pierre、Olivier Baudoin

  DOI：10.1021/ol200329e

  日期：2011.4.1

  Polycyclic molecules were obtained in good yields by double C(sp(2))-H/C(sp(3))-H arylations mediated by a single palladium/phosphine catalyst. Both double intermoleculadintramolecular and intramoleculadintramolecular C-C couplings were performed successfully, which indicates that this concept has a broad applicability for the rapid construction of molecular complexity.