4-Chlor-2-<4-chlor-benzylamino>-benzoesaeure | 4583-87-3

• 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: 4-Chlor-2-<4-chlor-benzylamino>-benzoesaeure
• 英文别名: 4-Chloro-2-[[(4-chlorophenyl)methyl]amino]benzoic acid；4-chloro-2-[(4-chlorophenyl)methylamino]benzoic acid
• CAS: 4583-87-3
• 化学式: C₁₄H₁₁Cl₂NO₂
• 分子量: 296.153
• InChiKey: UNSJQLXZUBVCKO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  49.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-Chlor-2-<4-chlor-benzylamino>-benzoesaeure 在 copper(l) iodide 、 potassium carbonate 作用下， 以 二甲基亚砜 为溶剂， 反应 6.0h， 生成 7-chloro-2-(4-chlorophenyl)-4H-benzo[d][1,3]oxazin-4-one
  参考文献：
  名称：

  Copper catalyzed CN bond formation/C–H activation: synthesis of aryl 4H-3,1-benzoxazin-4-ones

  摘要：

  We have developed a practical and efficient synthesis of 2-phenyl-4H-benzo[d][1,3]oxazine-4-one derivatives through copper catalyzed tandem reaction of 2-iodobenzoic acid with arylmethanamines under aerobic conditions. Compared to the literature methods toward the synthesis of 2-phenyl-4H-benzo[d][1,3]oxazine-4-one, the synthetic method reported in this Letter has broad substrate scope, mild reaction condition, and uses an inexpensive catalyst. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.11.070
• 作为产物：
  描述：

  4-氯-2-碘苯甲酸 、 对氯苄胺 在 copper(l) iodide 、 potassium carbonate 作用下， 以 二甲基亚砜 为溶剂， 反应 6.0h， 生成 4-Chlor-2-<4-chlor-benzylamino>-benzoesaeure
  参考文献：
  名称：

  Copper catalyzed CN bond formation/C–H activation: synthesis of aryl 4H-3,1-benzoxazin-4-ones

  摘要：

  We have developed a practical and efficient synthesis of 2-phenyl-4H-benzo[d][1,3]oxazine-4-one derivatives through copper catalyzed tandem reaction of 2-iodobenzoic acid with arylmethanamines under aerobic conditions. Compared to the literature methods toward the synthesis of 2-phenyl-4H-benzo[d][1,3]oxazine-4-one, the synthetic method reported in this Letter has broad substrate scope, mild reaction condition, and uses an inexpensive catalyst. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.11.070

文献信息

• Copper catalyzed CN bond formation/C–H activation: synthesis of aryl 4H-3,1-benzoxazin-4-ones
  作者：Sathishkumar Munusamy、Sathesh Venkatesan、Kulathu Iyer Sathiyanarayanan

  DOI：10.1016/j.tetlet.2014.11.070

  日期：2015.1

  We have developed a practical and efficient synthesis of 2-phenyl-4H-benzo[d][1,3]oxazine-4-one derivatives through copper catalyzed tandem reaction of 2-iodobenzoic acid with arylmethanamines under aerobic conditions. Compared to the literature methods toward the synthesis of 2-phenyl-4H-benzo[d][1,3]oxazine-4-one, the synthetic method reported in this Letter has broad substrate scope, mild reaction condition, and uses an inexpensive catalyst. (C) 2014 Elsevier Ltd. All rights reserved.