5-甲基-1,3-二苯基-1,2,4-三唑 | 1025-89-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 5-甲基-1,3-二苯基-1,2,4-三唑
• 英文名称: 5-Methyl-1,3-diphenyl-1,2,4-triazol
• 英文别名: 1,3-Diphenyl-5-methyl-1,2,4-triazol；5-Methyl-1,3-diphenyl-1H-1,2,4-triazole；5-methyl-1,3-diphenyl-1,2,4-triazole
• CAS: 1025-89-4
• 化学式: C₁₅H₁₃N₃
• 分子量: 235.288
• InChiKey: GDYDLKDQIOOXJY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090

反应信息

• 作为产物：
  描述：

  苯甲亚胺酸乙酯 在 三乙胺 作用下， 以 四氯化碳 、 甲苯 为溶剂， 反应 16.0h， 生成 5-甲基-1,3-二苯基-1,2,4-三唑
  参考文献：
  名称：

  Regioselective Synthesis of 1,2,4-Triazole and 1,2,4-Oxadiazole Derivatives

  摘要：

  DOI：

  10.1055/s-1983-30394

文献信息

• Deconstructive Oxygenation of Unstrained Cycloalkanamines
  作者：Jian‐Wu Zhang、Yuan‐Rui Wang、Jia‐Hao Pan、Yi‐Heng He、Wei Yu、Bing Han

  DOI：10.1002/anie.201914623

  日期：2020.3.2

  further oxygenation by 2,2,6,6-tetramethylpiperidine-1-oxyl (TEMPO) and m-cholorperoxybenzoic acid (mCPBA). Consequently, a series of 1,2,4-triazole-containing acyclic carbonyl compounds were efficiently produced. This protocol features a one-pot operation, mild reaction conditions, high regioselectivity and ring-opening efficiency, broad substrate scope, and is compatible with alkaloids, osamines

  使用自动氧化芳构化促进的C（sp3）-C（sp3）键裂解策略，首次开发了未应变的伯环烷胺的解构氧化。这种无金属的方法涉及环烷胺与酰氯的取代反应，随后进行自氧化环氧化，以原位生成预芳族化合物，然后进行N自由基促进的开环，并通过2,2,6,6-进一步氧合四甲基哌啶-1-氧基（TEMPO）和间胆过氧苯甲酸（mCPBA）。因此，有效地生产了一系列含1,2,4-三唑的无环羰基化合物。该方案具有一锅操作，温和的反应条件，高区域选择性和开环效率，广泛的底物范围，并且与生物碱，osamines和肽以及类固醇兼容。
• 1,3-dipolar cycloadditions induced by cation radicals. Formation of 1,2,4-triazoles from oxidative addition of 1,4-diphenylazomethane and aryl aldehyde phenylhydrazones to nitriles
  作者：A.K.M.Mansurul Hoque、Albert C. Kovelesky、Lee Wang-Keun、Henry J. Shine

  DOI：10.1016/s0040-4039(01)80911-4

  日期：1985.1

  Reaction of thianthrene cation radical perchlorate (Th.+ClO4−) with 1,4-diphenylazomethane (DPAM) in MeCN and EtCN led to the formation of 1,2,4-triazoles. Triazoles formation is attributed to oxidative cycloaddition of benzaldehyde benzylhydrazone, the tautomer of DPAM, to the solvent nitriles. In confirmation, analogous cycloadditions were achieved by reaction of Th.+ClO4− with some benzaldehyde

  噻蒽阳离子自由基高氯酸盐反应（TH +。 CLO 4 - ）与MeCN和EtCN 1,4- diphenylazomethane（DPAM）导致的1,2,4-三唑的形成。三唑的形成归因于DPAM的互变异构体苯甲醛苄hydr的氧化环加成到溶剂腈中。在确认时，类似的环加成由钍的反应来实现+。 CLO 4 -在相同的溶剂中苯甲醛一些苯腙。
• Electrosynthesis of 1,3,5-trisubstituted 1,2,4-triazoles from phenylhydrazine, aldehydes and amines under mild conditions
  作者：Ling Yuan、Gao-Qing Yuan

  DOI：10.1016/j.tet.2022.132647

  日期：2022.1

  A simple and convenient method for the electrosynthesis of 1,3,5-trisubstituted 1,2,4-triazoles with three components of phenylhydrazine, aldehydes and amines has been established. The electrolysis could be smoothly carried out at room temperature without additional strong oxidants and catalysts to afford the target product in good yields. This electrochemical route effectively extends synthetic field

  建立了苯肼、醛和胺三组分电合成1,3,5-三取代1,2,4-三唑的简便方法。电解可以在室温下顺利进行，无需额外的强氧化剂和催化剂，以良好的收率得到目标产物。该电化学路线有效地扩展了1,2,4-三唑衍生物的合成领域。
• New transformations of the reaction product of 4-(dichloromethylene)-2-phenyl-1,3-oxazol-5(4H)-one with triphenylphosphine
  作者：V. S. Brovarets、A. V. Golovenko、V. N. Sviripa、K. B. Zyuz’、A. N. Chernega、B. S. Drach

  DOI：10.1007/s11176-005-0005-8

  日期：2004.9

  4-(dichloromethylene)-4-phenyl-1,3-oxazol-5(4 H )-one with triphenylphosphine, water, and triethylamine gives a stabilized ylide Ph3P=CHCONHCOPh. Its structure was proved by X-ray diffraction. The ylide reacts with hydrogen chloride and phosphorus pentachloride to give a many-center phosphonium reagent with a 1,3-dichloro-2-aza-1,3-diene group, which enters cyclocondensations with hydrazine hydrate,

  用三苯基膦，水和三乙胺连续处理可用的4-（二氯亚甲基）-4-苯基-1,3-恶唑-5（4 H ）-one，得到稳定的内鎓盐Ph 3 P = CHCONHCOPh。通过X射线衍射证明其结构。内鎓盐与氯化氢和五氯化磷反应，生成具有1,3-二氯-2-氮杂-1,3-二烯基的多中心phospho试剂，该试剂与水合肼，苯肼和苄am进入环缩合反应。这些反应所允许的通式的Ph鏻盐的合成3 \（\ mathop P \限制^ + \）CH 2 HtAn -衍生自1,2,4-三唑或1,3,5-三嗪。环化产物的结构通过光谱方法以及碱性去磷酸化来建立。
• Pyrazole or Triazole Compounds and Their Use for the Manufacture of a Medicament for Treating Somatic Mutation-Related Diseases
  申请人：Almstead Neil

  公开号：US20080280869A1

  公开（公告）日：2008-11-13

  The present invention relates to methods, compounds, and compositions for treating or preventing diseases associated with nonsense mutations in an mRNA by administering the compounds or compositions of the present invention. More particularly, the present invention relates to methods, compounds, and compositions for suppressing premature translation termination associated with a nonsense mutation in an mRNA.

  本发明涉及通过给予本发明的化合物或组合物来治疗或预防与mRNA中无意义突变相关的疾病的方法、化合物和组合物。更具体地说，本发明涉及用于抑制与mRNA中无意义突变相关的早期翻译终止的方法、化合物和组合物。