2-(Chloromethyl)-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole | 696604-74-7

• 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: 2-(Chloromethyl)-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole
• CAS: 696604-74-7
• 化学式: C₁₁H₁₁ClN₂O₃
• mdl: MFCD05854526
• 分子量: 254.673
• InChiKey: MGHSHFKWIHAXBS-UHFFFAOYSA-N

物化性质

• 沸点：
  383.6±52.0 °C(Predicted)
• 密度：
  1.275±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.272
• 拓扑面积：
  57.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(Chloromethyl)-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole 、 1-丁烯-2-胺,1-(5,6-二氢-4H-1,3-噁嗪-2-基)- 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.25h， 以60%的产率得到1,1-difluoro-1,1a,6,10b-tetrahydro-(1a,6,10b)-dibenzo[a,e]cyclopropa[c]cyclohepten-6-yloxymethyl-5-(3,4-dimethoxyphenyl)-[1,3,4]-oxadiazole
  参考文献：
  名称：

  Synthesis and Antimicrobial Properties of 1,3,4-Oxadiazole Analogs Containing Dibenzosuberane Moiety

  摘要：

  A series of ten novel 1,3,4-oxadiazole analogs containing dibenzosuberane moiety were synthesized using linear as well as convergent synthesis approach. All the compounds were characterized by mass spectrometry, infrared (IR), H-1 and C-13 nuclear magnetic resonance (H-1 NMR and C-13 NMR) spectroscopies and elemental analysis. These compounds were evaluated for antibacterial and antifungal activities. Among ten analogs, four compounds, namely, 8a, 8d, 8e and 8j were found to be highly active antibacterial and antifungal agents.

  DOI：

  10.5935/0103-5053.20130275
• 作为产物：
  描述：

  3,4-二甲氧基苯酰肼 在 三氯氧磷 作用下， 以 乙酸乙酯 为溶剂， 生成 2-(Chloromethyl)-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole
  参考文献：
  名称：

  Synthesis and Antimicrobial Properties of 1,3,4-Oxadiazole Analogs Containing Dibenzosuberane Moiety

  摘要：

  A series of ten novel 1,3,4-oxadiazole analogs containing dibenzosuberane moiety were synthesized using linear as well as convergent synthesis approach. All the compounds were characterized by mass spectrometry, infrared (IR), H-1 and C-13 nuclear magnetic resonance (H-1 NMR and C-13 NMR) spectroscopies and elemental analysis. These compounds were evaluated for antibacterial and antifungal activities. Among ten analogs, four compounds, namely, 8a, 8d, 8e and 8j were found to be highly active antibacterial and antifungal agents.

  DOI：

  10.5935/0103-5053.20130275

文献信息

• Design and synthesis of 4-aminophenol-1,3,4-oxadiazole derivative potentiates apoptosis by targeting MAP kinase in triple negative breast cancer cells
  作者：Boregowda Dhanalakshmi、Belagal Motatis Anil Kumar、Sudhanva Muddenahalli Srinivasa、Hamse Kameshwar Vivek、Madhappan Sennappan、Shobith Rangappa、Venkatappan Srinivasa Murthy

  DOI：10.1080/07391102.2023.2274973

  日期：——

  Women below 40 years greatly suffer from triple negative breast cancers (TNBCs). Compared to other breast cancer cases, the poor prognosis and lower survival rate of TNBC patients make it an alarmi...

  40 岁以下的女性患三阴性乳腺癌 （TNBC） 的患病率很高。与其他乳腺癌病例相比，TNBC 患者的预后不良和生存率较低使其成为一个令人担忧的问题。
• Synthesis and Antimicrobial Properties of 1,3,4-Oxadiazole Analogs Containing Dibenzosuberane Moiety
  作者：Manjunath Moger、Vijay Satam、Darshan Raj C. Govindaraju、A. S. Paniraj、Vadiraj S. Gopinath、Rama Mohan Hindupura、Hari N. Pati

  DOI：10.5935/0103-5053.20130275

  日期：——

  A series of ten novel 1,3,4-oxadiazole analogs containing dibenzosuberane moiety were synthesized using linear as well as convergent synthesis approach. All the compounds were characterized by mass spectrometry, infrared (IR), H-1 and C-13 nuclear magnetic resonance (H-1 NMR and C-13 NMR) spectroscopies and elemental analysis. These compounds were evaluated for antibacterial and antifungal activities. Among ten analogs, four compounds, namely, 8a, 8d, 8e and 8j were found to be highly active antibacterial and antifungal agents.