2-氰基-2-环己基-N-甲基乙酰胺 | 893688-79-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 2-氰基-2-环己基-N-甲基乙酰胺
• 英文名称: 2-cyano-2-cyclohexylidene-N-methylacetamide
• CAS: 893688-79-4
• 化学式: C₁₀H₁₄N₂O
• mdl: MFCD01177117
• 分子量: 178.234
• InChiKey: CKYDUFNZRIIYQS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  52.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-氰基-2-环己基-N-甲基乙酰胺 在 sulfur 、 二乙胺 作用下， 以 乙醇 为溶剂， 生成 2-氨基-n-甲基-4,5,6,7-四氢-1-苯并噻吩-3-羧酰胺
  参考文献：
  名称：

  Synthesis of some 3-substituted amino-4,5-tetramethylene thieno[2,3-d][ 1,2,3]-triazin-4(3H)-ones as potential antimicrobial agents

  摘要：

  A series of 3-Substituted amino-4,5-tetramethylene thieno[2,3-d] [1,2,3]-triazine-4(3 (H) under bar )ones have been synthesized and characterized by UV,IR, 1H NMR, elemental and mass spectral analysis. The title compounds were evaluated for their antimicrobial activity by agar diffusion method against four bacteria and three fungi using Ampicillin and Miconazole nitrate as standards. The compounds Villa, IXa, Xa and XIa showed an antimicrobial efficacy considerably greater than the compounds la to Vila with -H, phenyl and electron donating (activating) groups like methyl, ethyl and tolyl substitutions at R. suggesting that lipophillic groups like chloro, fluoro substitution on the phenyl ring plays an important role in enhancing the antimicrobial properties of this class of compounds.From the screening results it can be concluded that the compounds having the lipophillic groups like chlorophenyl and fluorophenyl groups at R exhibited appreciable antimicrobial activities. Whereas, the compounds are having -H, phenyl and electron donating (activating) groups like methyl, ethyl and tolyl substituents at R were less active against all the organisms used. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.05.061
• 作为产物：
  描述：

  环己酮 、 2-氰基-N-甲基乙酰胺 在 ammonium acetate 、 溶剂黄146 作用下， 以 环己烷 为溶剂， 反应 10.0h， 生成 2-氰基-2-环己基-N-甲基乙酰胺
  参考文献：
  名称：

  Synthesis of some 3-substituted amino-4,5-tetramethylene thieno[2,3-d][ 1,2,3]-triazin-4(3H)-ones as potential antimicrobial agents

  摘要：

  A series of 3-Substituted amino-4,5-tetramethylene thieno[2,3-d] [1,2,3]-triazine-4(3 (H) under bar )ones have been synthesized and characterized by UV,IR, 1H NMR, elemental and mass spectral analysis. The title compounds were evaluated for their antimicrobial activity by agar diffusion method against four bacteria and three fungi using Ampicillin and Miconazole nitrate as standards. The compounds Villa, IXa, Xa and XIa showed an antimicrobial efficacy considerably greater than the compounds la to Vila with -H, phenyl and electron donating (activating) groups like methyl, ethyl and tolyl substitutions at R. suggesting that lipophillic groups like chloro, fluoro substitution on the phenyl ring plays an important role in enhancing the antimicrobial properties of this class of compounds.From the screening results it can be concluded that the compounds having the lipophillic groups like chlorophenyl and fluorophenyl groups at R exhibited appreciable antimicrobial activities. Whereas, the compounds are having -H, phenyl and electron donating (activating) groups like methyl, ethyl and tolyl substituents at R were less active against all the organisms used. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.05.061