4'-aminoacetophen[13C-carbonyl]one

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4'-aminoacetophen[13C-carbonyl]one
• 英文别名: 1-(13)C-4'-aminoacetophenone；4-Aminoacetophenone-13C；1-(4-aminophenyl)(113C)ethanone
• 化学式: C₈H₉NO
• 分子量: 136.155
• InChiKey: GPRYKVSEZCQIHD-PTQBSOBMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  43.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4'-aminoacetophen[13C-carbonyl]one 在 盐酸 、 N-氯代丁二酰亚胺 作用下， 以 水 为溶剂， 反应 10.0h， 以75%的产率得到1-(13)C-4'-amino-3',5'-dichloroacetophenone hydrochloride
  参考文献：
  名称：

  A straightforward route to obtain 13C1-labeled clenbuterol

  摘要：

  Singly-labeled C-13(1)-clenbuterol has been synthesized employing a straightforward pathway starting from easily available acetanilide. The critical step was the Friedel-Crafts acylation of this compound with marked acetyl chloride, being the first example of the use of this methodology applied to the synthesis of a clenbuterol derivative. Subsequent chemical reactions afforded the desired product with good yields. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.05.118
• 作为产物：
  描述：

  1-(13)C-4'-acetamidoacetophenone 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 反应 20.0h， 以61%的产率得到4'-aminoacetophen[13C-carbonyl]one
  参考文献：
  名称：

  A straightforward route to obtain 13C1-labeled clenbuterol

  摘要：

  Singly-labeled C-13(1)-clenbuterol has been synthesized employing a straightforward pathway starting from easily available acetanilide. The critical step was the Friedel-Crafts acylation of this compound with marked acetyl chloride, being the first example of the use of this methodology applied to the synthesis of a clenbuterol derivative. Subsequent chemical reactions afforded the desired product with good yields. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.05.118

文献信息

• Palladium-Mediated11C-Carbonylative Cross-Coupling of Alkyl/Aryl Iodides with Organostannanes: An Efficient Synthesis of Unsymmetrical Alkyl/Aryl [11C-carbonyl]Ketones
  作者：Farhad Karimi、Julien Barletta、Bengt Långström

  DOI：10.1002/ejoc.200400883

  日期：2005.6

  Palladium-mediated 11C-carbonylative cross coupling of alkyl / aryl iodides with organostannanes. An efficient synthesis of un-symmetrical alkyl - aryl [carbonyl-11C]ketones

  钯介导的烷基/芳基碘化物与有机锡烷的 11C-羰基化交叉偶联。不对称烷基-芳基[羰基-11C]酮的有效合成
• A straightforward route to obtain 13C1-labeled clenbuterol
  作者：Ana González-Antuña、Iván Lavandera、Pablo Rodríguez-González、Julio Rodríguez、José Ignacio García Alonso、Vicente Gotor

  DOI：10.1016/j.tet.2011.05.118

  日期：2011.8

  Singly-labeled C-13(1)-clenbuterol has been synthesized employing a straightforward pathway starting from easily available acetanilide. The critical step was the Friedel-Crafts acylation of this compound with marked acetyl chloride, being the first example of the use of this methodology applied to the synthesis of a clenbuterol derivative. Subsequent chemical reactions afforded the desired product with good yields. (C) 2011 Elsevier Ltd. All rights reserved.