1-(Chloroacetyl)-3-(3,4-dimethylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole | 905996-70-5

• 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-(Chloroacetyl)-3-(3,4-dimethylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole
• 英文别名: 2-chloro-1-[5-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
• CAS: 905996-70-5
• 化学式: C₁₉H₁₉ClN₂O
• 分子量: 326.826
• InChiKey: YGLSSLAJQFKIQS-UHFFFAOYSA-N

物化性质

• 熔点：
  112 °C(Solvent: Ethanol)
• 沸点：
  472.424±55.00 °C(Press: 760.00 Torr)(predicted)
• 密度：
  1.196±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  32.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(Chloroacetyl)-3-(3,4-dimethylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole 、 potassium 1-pyrrolidinecarbodithioate 以 丙酮 为溶剂， 反应 4.0h， 以84%的产率得到2-[3-(3,4-Dimethylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-YL]-2-oxoethyl 1-pyrrolidinecarbodithioate
  参考文献：
  名称：

  Synthesis and Antimicrobial Activities of Some 1-[(N, N-Disubstitutedthiocarbamoylthio)acetyl]-3,5-diaryl-2-pyrazolines

  摘要：

  The increasing clinical importance of drug-resistant fungal and bacterial pathogens has lent additional urgency to microbiological research and new antimicrobial compound development. For this put-pose, new pyrazoline derivatives were synthesized and evaluated for antimicrobial activity.Some 1-[(N,N-disubstitutedthiocarbamoylthio)acetyl]-3,5-dialyl-2-pyrazolines derivatives were synthesized by reacting 1-(chloroacetyl)-3,5-diaryl-2-pyrazolines with appropriate potassium salts of secondary amine dithiocarbamic acids. The chemical structures of the compounds were elucidated by IR, H-1-NMR, and FAB(+)-MS spectral data. Their antimicrobial activities against Staphylococcus aureus (B-767), Escherichia coli (B-3704), Pseudomonas aeruginosa (ATCC 27853), Proteus vulgaris (NRLL B-123), and Candida. albicans (NRRL-27077) were investigated. The results showed that some of the compounds have notable activity against S. aureus and C. albicans.

  DOI：

  10.1080/104265090930452
• 作为产物：
  描述：

  1-Phenyl-3-(3,4-dimethylphenyl)-1-propen-2-on 在 一水合肼 、 三乙胺 作用下， 以 乙醇 、 苯 为溶剂， 反应 5.0h， 生成 1-(Chloroacetyl)-3-(3,4-dimethylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole
  参考文献：
  名称：

  Synthesis and Antimicrobial Activities of Some 1-[(N, N-Disubstitutedthiocarbamoylthio)acetyl]-3,5-diaryl-2-pyrazolines

  摘要：

  The increasing clinical importance of drug-resistant fungal and bacterial pathogens has lent additional urgency to microbiological research and new antimicrobial compound development. For this put-pose, new pyrazoline derivatives were synthesized and evaluated for antimicrobial activity.Some 1-[(N,N-disubstitutedthiocarbamoylthio)acetyl]-3,5-dialyl-2-pyrazolines derivatives were synthesized by reacting 1-(chloroacetyl)-3,5-diaryl-2-pyrazolines with appropriate potassium salts of secondary amine dithiocarbamic acids. The chemical structures of the compounds were elucidated by IR, H-1-NMR, and FAB(+)-MS spectral data. Their antimicrobial activities against Staphylococcus aureus (B-767), Escherichia coli (B-3704), Pseudomonas aeruginosa (ATCC 27853), Proteus vulgaris (NRLL B-123), and Candida. albicans (NRRL-27077) were investigated. The results showed that some of the compounds have notable activity against S. aureus and C. albicans.

  DOI：

  10.1080/104265090930452

文献信息

• Synthesis and antinociceptive activities of some pyrazoline derivatives
  作者：Zafer Asim Kaplancikli、Gülhan Turan-Zitouni、Ahmet Özdemir、Özgür Devrim Can、Pierre Chevallet

  DOI：10.1016/j.ejmech.2008.09.002

  日期：2009.6

  In the present study, some pyrazoline derivatives were synthesized to investigate their potential antinociceptive activities. 1-[(Benzoxazole/benzimidazole-2-yl)thioacetyl]pyrazoline derivatives were obtained by reacting 3,5-diaryl-1-(2-chloroacetyl)pyrazolines with 2-marcaptobenzoxazole/benzimidazole. The chemical structures of the compounds were elucidated by IR, 1H NMR and FAB+-MS spectral data

  在本研究中，合成了一些吡唑啉衍生物以研究其潜在的抗伤害感受活性。通过使3，5-二芳基-1-（2-氯乙酰基）吡唑啉与2-巯基苯并恶唑/苯并咪唑反应获得1-[（苯并恶唑/苯并咪唑-2-基）硫代乙酰基]吡唑啉衍生物。通过IR，1 H NMR和FAB + -MS光谱数据和元素分析来阐明化合物的化学结构。 所有化合物（100 mg / kg）在热板和乙酸诱导的扭体试验中均显示出显着的抗伤害感受活性。纳洛酮（5 mg / kg）预处理逆转了抗伤害感受活性，表明阿片样物质系统参与了镇痛作用。在Rota-Rod模型中评估时，没有一种化合物会损害动物的运动协调能力。 这些结果支持了以前的论文，这些论文报道了各种苯并恶唑/苯并咪唑-吡唑啉衍生物化合物对阿片类药物的镇痛活性。
• Synthesis and Antimicrobial Activities of Some 1-[(N, N-Disubstitutedthiocarbamoylthio)acetyl]-3,5-diaryl-2-pyrazolines
  作者：Gülhan Turan-Zitouni、Ahmet Özdemir、Zafer Asim Kaplancikli、Pierre Chevallet、Yagmur Tunali

  DOI：10.1080/104265090930452

  日期：2005.12

  The increasing clinical importance of drug-resistant fungal and bacterial pathogens has lent additional urgency to microbiological research and new antimicrobial compound development. For this put-pose, new pyrazoline derivatives were synthesized and evaluated for antimicrobial activity.Some 1-[(N,N-disubstitutedthiocarbamoylthio)acetyl]-3,5-dialyl-2-pyrazolines derivatives were synthesized by reacting 1-(chloroacetyl)-3,5-diaryl-2-pyrazolines with appropriate potassium salts of secondary amine dithiocarbamic acids. The chemical structures of the compounds were elucidated by IR, H-1-NMR, and FAB(+)-MS spectral data. Their antimicrobial activities against Staphylococcus aureus (B-767), Escherichia coli (B-3704), Pseudomonas aeruginosa (ATCC 27853), Proteus vulgaris (NRLL B-123), and Candida. albicans (NRRL-27077) were investigated. The results showed that some of the compounds have notable activity against S. aureus and C. albicans.