(3-chlorophenyl)(5-(4-chlorophenylthio)-1,3-dimethyl-1H-pyrazol-4-yl)methanone | 1581307-14-3

• 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: (3-chlorophenyl)(5-(4-chlorophenylthio)-1,3-dimethyl-1H-pyrazol-4-yl)methanone
• CAS: 1581307-14-3
• 化学式: C₁₈H₁₄Cl₂N₂OS
• 分子量: 377.294
• InChiKey: PMFKXEQLYUTGGU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.42
• 重原子数：
  24.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  34.89
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  (3-chlorophenyl)(5-(4-chlorophenylthio)-1,3-dimethyl-1H-pyrazol-4-yl)methanone 在 双氧水 、 溶剂黄146 作用下， 以62%的产率得到[5-(4-chlorophenylsulfinyl)-1,3-dimethyl-1H-pyrazol-4-yl](3-chlorophenyl)methanone
  参考文献：
  名称：

  The Synthesis and Biological Activities of [5-(4-Substituted Phenylsulfinyl/Sulfonyl)-1,3-Dimethyl-1H-Pyrazol-4-Yl]-Arylmethanones

  摘要：

  A novel series of pyrazole derivatives containing substituted phenylsulfinyl/sulfonyl group have been synthesized via the oxidation of intermediate pyrazole sulfoether with H2O2 in acetic acid. The novel compounds were characterized by melting point, H-1 NMR, FT-IR, MS, and elemental analysis or HRMS. The biological activity results showed that most of the title compounds exhibit significant fungicidal activities against Alternaria solani Sorauer, Phytophthora capsici, and Corynespora cassiicola. [Supplementary materials are available for this article. Go to the publisher's online edition of Phosphorus, Sulfur, and Silicon and the Related Elements for the following free supplemental files: Additional text and figures.]

  DOI：

  10.1080/10426507.2013.829832
• 作为产物：
  描述：

  (1,3-dimethyl-5-hydroxy-1H-pyrazol-4-yl)(3-chlorophenyl)methanone 在 sodium hydride 、 三氯氧磷 作用下， 以 四氢呋喃 为溶剂， 反应 30.0h， 生成 (3-chlorophenyl)(5-(4-chlorophenylthio)-1,3-dimethyl-1H-pyrazol-4-yl)methanone
  参考文献：
  名称：

  The Synthesis and Biological Activities of [5-(4-Substituted Phenylsulfinyl/Sulfonyl)-1,3-Dimethyl-1H-Pyrazol-4-Yl]-Arylmethanones

  摘要：

  A novel series of pyrazole derivatives containing substituted phenylsulfinyl/sulfonyl group have been synthesized via the oxidation of intermediate pyrazole sulfoether with H2O2 in acetic acid. The novel compounds were characterized by melting point, H-1 NMR, FT-IR, MS, and elemental analysis or HRMS. The biological activity results showed that most of the title compounds exhibit significant fungicidal activities against Alternaria solani Sorauer, Phytophthora capsici, and Corynespora cassiicola. [Supplementary materials are available for this article. Go to the publisher's online edition of Phosphorus, Sulfur, and Silicon and the Related Elements for the following free supplemental files: Additional text and figures.]

  DOI：

  10.1080/10426507.2013.829832