2,6-difluoro-N,N-diethylbenzamide | 84044-78-0

• 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: 2,6-difluoro-N,N-diethylbenzamide
• 英文别名: Benzamide, N,N-diethyl-2,6-difluoro-；N,N-diethyl-2,6-difluorobenzamide
• CAS: 84044-78-0
• 化学式: C₁₁H₁₃F₂NO
• 分子量: 213.227
• InChiKey: FBIZJCIZLQXWDA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  二乙胺 、 2,6-二氟苯甲酰氯 以 水 、 甲苯 为溶剂， 生成 2,6-difluoro-N,N-diethylbenzamide
  参考文献：
  名称：

  Investigations onN,N-dialkylbenzamides by NMR spectroscopy: 5—Analysis of static and dynamic proton NMR spectra of 2-fluoro- and 2,6-difluoro-N,N-dimethyl- andN,N-diethyl-benzamides

  摘要：

  AbstractThe analysis of static and dynamic proton NMR spectra of 2‐fluoro‐ and 2,6‐difluoro‐N,N‐dimethyl‐ and N,N‐diethyl‐benzamides at various temperatures has been carried out. The conformations of the compounds have been deduced on the basis of long‐range through‐space proton‐fluorine couplings. Free energies of activation of amide rotation have been determined for all compounds, and of carbonyl‐ring rotation for one compound.

  DOI：

  10.1002/omr.1270211103

文献信息

• Spiroindoline Modulators of Muscarinic Receptors
  申请人：Makings Lewis R.

  公开号：US20120283243A1

  公开（公告）日：2012-11-08

  The present invention relates to modulators of muscarinic receptors. The present invention also provides compositions comprising such modulators, and methods therewith for treating muscarinic receptor mediated diseases.

  本发明涉及肌动蛋白受体调节剂。本发明还提供包含这种调节剂的组合物，并提供使用这些组合物治疗肌动蛋白受体介导疾病的方法。
• US8258148B2
  申请人：——

  公开号：US8258148B2

  公开（公告）日：2012-09-04
• US8367691B2
  申请人：——

  公开号：US8367691B2

  公开（公告）日：2013-02-05
• Investigations onN,N-dialkylbenzamides by NMR spectroscopy: 5—Analysis of static and dynamic proton NMR spectra of 2-fluoro- and 2,6-difluoro-N,N-dimethyl- andN,N-diethyl-benzamides
  作者：Thomas Dürst、Adam Gryff-Keller、Jacek Terpiński

  DOI：10.1002/omr.1270211103

  日期：1983.11

  AbstractThe analysis of static and dynamic proton NMR spectra of 2‐fluoro‐ and 2,6‐difluoro‐N,N‐dimethyl‐ and N,N‐diethyl‐benzamides at various temperatures has been carried out. The conformations of the compounds have been deduced on the basis of long‐range through‐space proton‐fluorine couplings. Free energies of activation of amide rotation have been determined for all compounds, and of carbonyl‐ring rotation for one compound.