N-(2-氯-6-氟苄基)乙酰胺 | 661452-15-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-(2-氯-6-氟苄基)乙酰胺
• 英文名称: N-[(2-chloro-6-fluorophenyl)methyl]acetamide
• CAS: 661452-15-9
• 化学式: C₉H₉ClFNO
• mdl: MFCD00119864
• 分子量: 201.628
• InChiKey: QCKJMNXZVNHGJN-UHFFFAOYSA-N

物化性质

• 沸点：
  358.1±32.0 °C(Predicted)
• 密度：
  1.253±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 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：

  N-(2-氯-6-氟苄基)乙酰胺 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 氯仿 为溶剂， 反应 18.0h， 以55%的产率得到2-氯-6-氟-苯甲醛
  参考文献：
  名称：

  Direct Oxidation of N‐Benzylamides to Aldehydes or Ketones by N‐Bromosuccinimide

  摘要：

  A simple and efficient approach for the one-pot transformation of N-benzylamides to aldehydes or ketones under mild conditions was reported. All the 20 substrates gave moderate to excellent oxidative yields under the optimized conditions. Our study may provide a new approach for the one-pot synthesis of aldehydes or ketones from the corresponding amides.

  DOI：

  10.1080/00397910801929697
• 作为产物：
  描述：

  2-氯-6-氟苄胺 、 乙酰氯 在 三乙胺 作用下， 生成 N-(2-氯-6-氟苄基)乙酰胺
  参考文献：
  名称：

  Pyrano-[2,3b]-pyridines as potassium channel antagonists

  摘要：

  The design and synthesis of a series of highly functionalized pyrano-[2,3b]-pyridines is described. These compounds were assayed for their ability to block the I-Kur channel encoded by the gene hKV1.5 in patch-clamped L-929 cells. Six of the compounds in this series showed sub-micromolar activity, the most potent being 4-(4-ethyl-benzenesulfonylamino)-3-hydroxy-2,2-dimethyl-3,4dihydro-2H-pyrano[2,3b]-pyridine-6-carboxylic acid ethyl-phenyl-amide with an IC50 of 378 nM. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.03.026

文献信息

• Non-Nucleoside Reverse Transcriptase Inhibitors
  申请人：Wolkenberg Scott E.

  公开号：US20100222322A1

  公开（公告）日：2010-09-02

  Indole compounds of Formula (I) are HIV reverse transcriptase inhibitors, wherein R 1 , R 2 , R 3 , R 4 and R 5 are defined herein. The compounds of Formula (I) and their pharmaceutically acceptable salts are useful in the inhibition of HIV reverse transcriptase, the prophylaxis and treatment of infection by HIV and in the prophylaxis, delay in the onset, and treatment of AIDS. The compounds and their salts can be employed as ingredients in pharmaceutical compositions, optionally in combination with other antivirals, immunomodulators, antibiotics or vaccines.

  公式（I）的吲哚化合物是HIV反转录酶抑制剂，其中R1、R2、R3、R4和R5的定义在此处。公式（I）的化合物及其药学上可接受的盐在抑制HIV反转录酶、预防和治疗HIV感染以及预防、延迟发病和治疗艾滋病方面是有用的。这些化合物及其盐可以作为药物组成部分，可选择与其他抗病毒药物、免疫调节剂、抗生素或疫苗组合使用。
• Pyrano-[2,3b]-pyridines as potassium channel antagonists
  作者：Heather J. Finlay、John Lloyd、Michael Nyman、Mary Lee Conder、Tonya West、Paul Levesque、Karnail Atwal

  DOI：10.1016/j.bmcl.2008.03.026

  日期：2008.4

  The design and synthesis of a series of highly functionalized pyrano-[2,3b]-pyridines is described. These compounds were assayed for their ability to block the I-Kur channel encoded by the gene hKV1.5 in patch-clamped L-929 cells. Six of the compounds in this series showed sub-micromolar activity, the most potent being 4-(4-ethyl-benzenesulfonylamino)-3-hydroxy-2,2-dimethyl-3,4dihydro-2H-pyrano[2,3b]-pyridine-6-carboxylic acid ethyl-phenyl-amide with an IC50 of 378 nM. (C) 2008 Elsevier Ltd. All rights reserved.
• Direct Oxidation of N‐Benzylamides to Aldehydes or Ketones by N‐Bromosuccinimide
  作者：Guangjun Wang、Zhengwei Li、Chengyong Ha、Ke Ding

  DOI：10.1080/00397910801929697

  日期：2008.4.1

  A simple and efficient approach for the one-pot transformation of N-benzylamides to aldehydes or ketones under mild conditions was reported. All the 20 substrates gave moderate to excellent oxidative yields under the optimized conditions. Our study may provide a new approach for the one-pot synthesis of aldehydes or ketones from the corresponding amides.