3-(3,4-dimethyl-phenyl)-5-phenyl-4,5-dihydro-1H-pyrazole | 42181-95-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(3,4-dimethyl-phenyl)-5-phenyl-4,5-dihydro-1H-pyrazole
• 英文别名: 3-(3,4-dimethylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole
• CAS: 42181-95-3
• 化学式: C₁₇H₁₈N₂
• 分子量: 250.343
• InChiKey: YQCBPEULTGCPJY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.74
• 重原子数：
  19.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  24.39
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  3-(3,4-dimethyl-phenyl)-5-phenyl-4,5-dihydro-1H-pyrazole 在 三乙胺 作用下， 以 丙酮 、 苯 为溶剂， 反应 5.0h， 生成 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：

  3,4-二甲基苯乙酮 在 氢氧化钾 、 一水合肼 作用下， 以 乙醇 为溶剂， 反应 4.0h， 生成 3-(3,4-dimethyl-phenyl)-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。
• MAKSOUD A. A.; HOSNI G.; HASSAN O.; SHAFIK S., REV. ROUM. CHIM., 1978, 23, NO 11-12, 1541-1552
  作者：MAKSOUD A. A.、 HOSNI G.、 HASSAN O.、 SHAFIK S.

  DOI：——

  日期：——