1-(2-(p-tolylamino)phenyl)propan-1-one | 104014-55-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(2-(p-tolylamino)phenyl)propan-1-one
• 英文别名: 1-[2-(4-Methylanilino)phenyl]propan-1-one
• CAS: 104014-55-3
• 化学式: C₁₆H₁₇NO
• 分子量: 239.317
• InChiKey: OXUIDICBQCAVSO-UHFFFAOYSA-N

物化性质

• 熔点：
  45.5-46.5 °C
• 沸点：
  377.9±25.0 °C(Predicted)
• 密度：
  1.088±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(2-(p-tolylamino)phenyl)propan-1-one 在 盐酸羟胺 作用下， 以76%的产率得到(E)-1-(2-(p-tolylamino)phenyl)propan-1-one oxime
  参考文献：
  名称：

  Divergent strategy for the chemoselective synthesis of N-Arylbenzimidazoles and N-Arylindazoles from arylamino oximes

  摘要：

  An efficient and divergent synthesis of N-arylbenzimidazoles and N-arylindazoles from arylamino oximes based on reaction conditions selection was developed. The synthesis was approached by treating oximes with BTC and the chemoselectivity was regulated by the amount of Et3N. This switchable N-N and N-C bond formation process features mild reaction conditions, simple execution, high chemoselectivity and broad substrate scope. (C) 2020 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2020.130945
• 作为产物：
  描述：

  1-(2-氨基-苯基)-丙烷-1-酮 、 alkaline earth salt of/the/ methylsulfuric acid 在 铜 、 potassium carbonate 作用下， 以 氯苯 为溶剂， 反应 24.0h， 以81%的产率得到1-(2-(p-tolylamino)phenyl)propan-1-one
  参考文献：
  名称：

  Divergent strategy for the chemoselective synthesis of N-Arylbenzimidazoles and N-Arylindazoles from arylamino oximes

  摘要：

  An efficient and divergent synthesis of N-arylbenzimidazoles and N-arylindazoles from arylamino oximes based on reaction conditions selection was developed. The synthesis was approached by treating oximes with BTC and the chemoselectivity was regulated by the amount of Et3N. This switchable N-N and N-C bond formation process features mild reaction conditions, simple execution, high chemoselectivity and broad substrate scope. (C) 2020 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2020.130945

文献信息

• Hellwinkel, Dieter; Ittemann, Peter, Chemische Berichte, 1986, vol. 119, # 10, p. 3165 - 3197
  作者：Hellwinkel, Dieter、Ittemann, Peter

  DOI：——

  日期：——
• HELLWINKEL D.; ITTEMANN P., CHEM. BER., 119,(1986) N 10, 3165-3197
  作者：HELLWINKEL D.、 ITTEMANN P.

  DOI：——

  日期：——
• CN116589406
  申请人：——

  公开号：——

  公开（公告）日：——
• Divergent strategy for the chemoselective synthesis of N-Arylbenzimidazoles and N-Arylindazoles from arylamino oximes
  作者：Zhen-Hua Li、Xiao-Meng Sun、Jin-Jing Qin、Zhi-Yong Tan、Wen-Biao Wang、Yao Ma

  DOI：10.1016/j.tet.2020.130945

  日期：2020.2

  An efficient and divergent synthesis of N-arylbenzimidazoles and N-arylindazoles from arylamino oximes based on reaction conditions selection was developed. The synthesis was approached by treating oximes with BTC and the chemoselectivity was regulated by the amount of Et3N. This switchable N-N and N-C bond formation process features mild reaction conditions, simple execution, high chemoselectivity and broad substrate scope. (C) 2020 Elsevier Ltd. All rights reserved.