1-acetyl-5-(3,4-dimethoxyphenyl)-3-(5-chloro-thienyl)-2-pyrazoline | 152432-21-8

• 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: 1-acetyl-5-(3,4-dimethoxyphenyl)-3-(5-chloro-thienyl)-2-pyrazoline
• 英文别名: 1-[5-(5-Chlorothiophen-2-yl)-3-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
• CAS: 152432-21-8
• 化学式: C₁₇H₁₇ClN₂O₃S
• 分子量: 364.853
• InChiKey: LIBDTIFPOUIBFH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  79.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-acetyl-5-(3,4-dimethoxyphenyl)-3-(5-chloro-thienyl)-2-pyrazoline 、 nickel dichloride 以 乙醇 为溶剂， 以75%的产率得到nickel(II) di-1-acetyl-5-(3,4-dimethoxyphenyl)-3-(5-chloro-thienyl)-2-pyrazoline dichloro
  参考文献：
  名称：

  Dudeja, Mamta; Malhotra, Rajesh; Gupta, Mohinder Paul, Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical, 1993, vol. 32, # 11, p. 975 - 979

  摘要：

  DOI：
• 作为产物：
  描述：

  2-乙酰基-5-氯噻酚 在 hydrazine hydrate 、 sodium hydroxide 作用下， 以 甲醇 、 水 为溶剂， 生成 1-acetyl-5-(3,4-dimethoxyphenyl)-3-(5-chloro-thienyl)-2-pyrazoline
  参考文献：
  名称：

  Synthesis of Manganese Complexes of 4,5-Dihydropyrazoles and Metalation Effect on the Antimicrobial Activity

  摘要：

  合成了1-乙酰基-5-芳基-3-(取代噻吩基)-4,5-二氢吡唑及其锰复合物，并根据元素分析、磁性、摩尔电导率、分子量测定和光谱数据进行了表征。红外光谱数据表明配体与锰(II)离子的配位是通过亚胺氮和羰基氧。微量分析、电子光谱分配和磁矩提示金属离子周围具有八面体几何形状，金属与配体的化学计量比为1:2。与配体相比，这些复合物在体外显示出微生物杀灭活性。

  DOI：

  10.14233/ajchem.2014.16428

文献信息

• Ligational Behaviour of Substituted 4,5-Dihydropyrazoles Towards Oxovanadium(IV) and Metalation Effect on the Antimicrobial Activity
  作者：Mamta Dudeja、Rajesh Malhotra、Mohinder PaulGupta、Kuldip SinghDhindsa

  DOI：10.1080/00945719608004344

  日期：1996.7

  Complexes of 1-acetyl-5-aryl-3-(substituted thienyl)-4,5-dihydropyrazoles [AATP; Ar = 2-OCH3, 4-OCH3 and 3,4-(OCH3)(2)] with oxovanadium(IV) ion have been synthesized and characterized on the basis of elemental analyses, molar conductance, magnetic susceptibility, molecular weight determination and spectral (ESR, IR and UV) data. The pyrazoles behaved as bidentate ligands coordinating through oxygen and nitrogen N(2) of the carbonyl and azomethine groups, respectively. ESR data of the powdered samples of the complexes and in DMF solution suggested a distorted octahedral environment around oxovanadium(IV). The ligands and vanadyl complexes were evaluated for antifungal activity against Colletotrichum capsicum and Rhizoctonia solani at 37 degrees C and antibacterial activity against Bacillus subtilis and Escherichia coli at 28 degrees C. Metalation had pronounced effects on the antimicrobial activity of the ligands.
• Dudeja, Mamta; Malhotra, Rajesh; Gupta, Mohinder Paul, Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical, 1993, vol. 32, # 11, p. 975 - 979
  作者：Dudeja, Mamta、Malhotra, Rajesh、Gupta, Mohinder Paul、Dhindsa, Kuldip Singh

  DOI：——

  日期：——
• Synthesis of Manganese Complexes of 4,5-Dihydropyrazoles and Metalation Effect on the Antimicrobial Activity
  作者：Mamta Ahuja

  DOI：10.14233/ajchem.2014.16428

  日期：——

  1-Acetyl-5-aryl-3-(substituted thienyl)-4,5-dihydropyrazoles and their manganese complexes have been synthesized and characterized on the basis of elemental analysis, magnetic susceptibility, molar conductance, molecular weight determination and spectroscopic data. The IR data indicated that the coordination of the ligands to the manganese (II) ion was through the azomethine nitrogen and carbonyl oxygen. The micro analytical, electronic spectral assignments and magnetic moment suggested an octahedral geometry around the metal ion with 1:2 metal ligand stoichiometry. The complexes exhibited in vitro microbiocidal activity in comparison to ligands.

  合成了1-乙酰基-5-芳基-3-(取代噻吩基)-4,5-二氢吡唑及其锰复合物，并根据元素分析、磁性、摩尔电导率、分子量测定和光谱数据进行了表征。红外光谱数据表明配体与锰(II)离子的配位是通过亚胺氮和羰基氧。微量分析、电子光谱分配和磁矩提示金属离子周围具有八面体几何形状，金属与配体的化学计量比为1:2。与配体相比，这些复合物在体外显示出微生物杀灭活性。