3'(5'),3,5-trimethyl-5'(3')-pyrazolyl-1-pyrazole | 71426-46-5

• 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'(5'),3,5-trimethyl-5'(3')-pyrazolyl-1-pyrazole
• 英文别名: trimethyl-3,3',5' bipyrazolyl；3,5,5'-trimethyl-1'(2')H-[1,3']bipyrazolyl；NoName_3527；3,5-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)pyrazole
• CAS: 71426-46-5
• 化学式: C₉H₁₂N₄
• 分子量: 176.221
• InChiKey: JVTUGNXBSAHJHN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3'(5'),3,5-trimethyl-5'(3')-pyrazolyl-1-pyrazole 在 sodium azide 、 potassium tert-butylate 、 zinc(II) chloride 作用下， 以 乙醚 、 水 为溶剂， 反应 15.0h， 生成 1’-((1H-tetrazol-5-yl)methyl)-3,5,5’-trimethyl-1’H-1,3’-bipyrazole
  参考文献：
  名称：

  High Inhibition for a Co^II Tetrazole Bi‐pyrazole Dinuclear Complex against Fusarium Oxysporum f. sp. Albedinis

  摘要：

  New coordination compounds made of two novel tetrazole and C,N‐bipyrazole ligands, 2‐(3,5,5′‐trimethyl‐1′H‐[1,3′‐bipyrazol]‐1′‐yl)acetonitrile (L1), and 1′‐((1H‐tetrazol‐5‐yl)methyl)‐3,5,5′‐trimethyl‐1′H‐1,3′‐bipyrazole (HL2), were prepared and fully characterized by spectroscopic techniques. Their crystal structures were identified by single‐crystal X‐ray diffraction revealing mononuclear complexes: [Ni(L1)₃](ClO₄)₂ (1), [Cd(L1)₂Cl₂] (2), [Cu(HL2)(L2)]ClO₄ (3), [Cu(L2)₂] (4) and a dinuclear complex [Co₂(HL2)(L2)Cl₃] (5) comprising Co^II ions in octahedral and tetrahedral surrounding within the same unit. Noticeably, 3 and 4 show different architectural structures due to ligand deprotonation as well as the effect of the counter anion. All compounds demonstrated antimicrobial activity against Gram (+) bacteria Listeria innocua and Staphylococcus aureus, as well as Gram (−) bacteria such as Escherichia coli and Pseudomonas aeruginosa, and antifungal activity against pathogenic fungi Geotrichum candidum, Aspergillus niger, and Penicillium crustosum. Interestingly, a high inhibition activity of 97 % was reached for 5 with a low concentration of only 81.1 μmol/L against Fusarium oxysporum f. sp. Albedinis, which is commonly damaging palm trees crops.

  DOI：

  10.1002/ejic.202300634
• 作为产物：
  描述：

  乙酰丙酮 、 methyl-3(5) hydrazino-5(3) pyrazole 以 乙醇 为溶剂， 反应 1.0h， 以92%的产率得到3'(5'),3,5-trimethyl-5'(3')-pyrazolyl-1-pyrazole
  参考文献：
  名称：

  Tarrago, Georges; Ramdani, Abdelkrim; Elguero, Jose, Journal of Heterocyclic Chemistry, 1980, vol. 17, # 1, p. 137 - 142

  摘要：

  DOI：

文献信息

• Tjiou, El Mostafa; Fruchier, Alain; Pellegrin, Valdo, Journal of Heterocyclic Chemistry, 1989, vol. 26, p. 893 - 898
  作者：Tjiou, El Mostafa、Fruchier, Alain、Pellegrin, Valdo、Tarrago, Georges

  DOI：——

  日期：——
• Polypyrazolic macrocycles—I
  作者：A. Ramdani、G. Tarrago

  DOI：10.1016/s0040-4020(01)97674-4

  日期：1981.1
• COHEN-FERNANDEZ P.; ERKELENS C.; EENDENBURG C. G. M. VAN; VERHOEVEN J. J.+, J. ORG. CHEM., 1979, 44, NO 23, 4156-4160
  作者：COHEN-FERNANDEZ P.、 ERKELENS C.、 EENDENBURG C. G. M. VAN、 VERHOEVEN J. J.+

  DOI：——

  日期：——
• RAMDANI A.; TARRAGO G., TETRAHEDRON, 1981, 37, NO 5, 987-990
  作者：RAMDANI A.、 TARRAGO G.

  DOI：——

  日期：——