2-(2,4-二氯-苯基)-4-甲基-戊腈 | 58853-25-1

• 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: 2-(2,4-二氯-苯基)-4-甲基-戊腈
• 英文名称: 2-(2,4-Dichlorophenyl)-4-methylpentanenitrile
• CAS: 58853-25-1
• 化学式: C₁₂H₁₃Cl₂N
• 分子量: 242.148
• InChiKey: HFYXAVGMOXSVAJ-UHFFFAOYSA-N

物化性质

• 沸点：
  328.5±27.0 °C(Predicted)
• 密度：
  1.171±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  甲醇 、 2-(2,4-二氯-苯基)-4-甲基-戊腈 在 盐酸 作用下， 生成 Methyl 2-(2,4-dichlorophenyl)-4-methylpentanoate
  参考文献：
  名称：

  Synthesis and antimycotic properties of 1-(2-alkyl-2-phenylethyl)-1H-imidazoles

  摘要：

  The synthesis of 1-(2-alkyl-2-phenylethyl)-1H-imidazoles was accomplished starting from the corresponding phenylacetonitriles. Via alkylation, esterification, and sodium borohydride reduction-in the presence of lithium iodide-beta-phenylalconols were obtained. Mesylation of these alcohols and refluxing with imidazole in dimethylformamide furnished title compounds, which were active in vitro against dermatophytes, yeasts, other fungi, and gram-positive bacteria and in vivo as well as in vitro against Candida albicans.

  DOI：

  10.1021/jm00231a013
• 作为产物：
  描述：

  溴代异丁烷 、 2,4-二氯苯乙腈 生成 2-(2,4-二氯-苯基)-4-甲基-戊腈
  参考文献：
  名称：

  Synthesis and antimycotic properties of 1-(2-alkyl-2-phenylethyl)-1H-imidazoles

  摘要：

  The synthesis of 1-(2-alkyl-2-phenylethyl)-1H-imidazoles was accomplished starting from the corresponding phenylacetonitriles. Via alkylation, esterification, and sodium borohydride reduction-in the presence of lithium iodide-beta-phenylalconols were obtained. Mesylation of these alcohols and refluxing with imidazole in dimethylformamide furnished title compounds, which were active in vitro against dermatophytes, yeasts, other fungi, and gram-positive bacteria and in vivo as well as in vitro against Candida albicans.

  DOI：

  10.1021/jm00231a013

文献信息

• HEERES J.; BACKX L. J. J.; VAN CUTSEM J. M., J. MED. CHEM. <JMCM-AR>, 1976, 19, NO 9, 1148-1155
  作者：HEERES J.、 BACKX L. J. J.、 VAN CUTSEM J. M.

  DOI：——

  日期：——
• US3991201A
  申请人：——

  公开号：US3991201A

  公开（公告）日：1976-11-09
• Synthesis and antimycotic properties of 1-(2-alkyl-2-phenylethyl)-1H-imidazoles
  作者：J. Heeres、L. J. J. Backx、J. M. Van Cutsem

  DOI：10.1021/jm00231a013

  日期：1976.9

  The synthesis of 1-(2-alkyl-2-phenylethyl)-1H-imidazoles was accomplished starting from the corresponding phenylacetonitriles. Via alkylation, esterification, and sodium borohydride reduction-in the presence of lithium iodide-beta-phenylalconols were obtained. Mesylation of these alcohols and refluxing with imidazole in dimethylformamide furnished title compounds, which were active in vitro against dermatophytes, yeasts, other fungi, and gram-positive bacteria and in vivo as well as in vitro against Candida albicans.