1-propyl-3-ethylpyrazole | 1007518-52-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-propyl-3-ethylpyrazole
• 英文别名: 3-ethyl-1-propylpyrazole
• CAS: 1007518-52-6
• 化学式: C₈H₁₄N₂
• 分子量: 138.213
• InChiKey: UIGQYGPAPIIYBQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  17.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  3-乙基-1H-吡唑 、 溴丙烷 在 potassium hydroxide 作用下， 以 二甲基亚砜 为溶剂， 反应 6.25h， 生成 1-propyl-3-ethylpyrazole 、 1-propyl-5-ethylpyrazole
  参考文献：
  名称：

  Ratio of 1,3- and 1,5-dialkyl-substituted pyrazoles obtained from chlorovinyl alkyl ketones and alkylhydrazines, 3(5)-pyrazoles and alkyl bromides

  摘要：

  Unsymmetrically substituted 1,3- and 1,5-dialkylpyrazoles and 1,3-dialkyl-5-chloropyrazoles were prepared. 2-Chlorovinyl ketones react with C-1-C-8-alkylhydrazines along two routes giving mixtures of 1-R'-3-R- and 1-R'-5-R-pyrazoles with the prevalence of 1,3-isomer. The proportion of 3-substituted 1-alkylpyrazole in the isomers mixture grows from 60 to 94-97% with growing length of the alkyl chain in the hydrazine. The alkylation of 1-unsubstituted 3(5)-alkylpyrazoles with alkyl bromides afforded predominantly (by 16-50%) 1,3-disubstituted pyrazoles. 1,3-Dialkyl-5-chloropyrazoles form from 2,2-dichlorovinyl alkyl ketones and functionalized alkylhydrazines. It was suggested to synthesize 1,3-dialkyl-substituted pyrazoles by dechlorination of unsymmetrically substituted 1,3-dialkyl-5-chloropyrazoles in the presence of complex nickel catalyst and water as the proton source.

  DOI：

  10.1134/s1070428014110190

文献信息

• NOVEL BENZIMIDAZOLE DERIVATIVES
  申请人：Qiu Yao-Ling

  公开号：US20100233122A1

  公开（公告）日：2010-09-16

  The present invention discloses compounds of Formula (I), or pharmaceutically acceptable salts, esters, or prodrugs thereof: which inhibit RNA-containing virus, particularly the hepatitis C virus (HCV). Consequently, the compounds of the present invention interfere with the life cycle of the hepatitis C virus and are also useful as antiviral agents. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from HCV infection. The invention also relates to methods of treating an HCV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention.
• US8101643B2
  申请人：——

  公开号：US8101643B2

  公开（公告）日：2012-01-24