2-benzothiazol-2-yl-4,6-diphenyl-1(6),2,3,4-tetrahydro-[1,2,4,5]tetrazine | 26326-52-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 2-benzothiazol-2-yl-4,6-diphenyl-1(6),2,3,4-tetrahydro-[1,2,4,5]tetrazine
• 英文别名: 2-(3,5-Diphenyl-5,6-dihydro-4h-1,2,4,5-tetrazin-1yl)-1,3-benzothiazole；2-(4,6-diphenyl-1,3-dihydro-1,2,4,5-tetrazin-2-yl)-1,3-benzothiazole
• CAS: 26326-52-3
• 化学式: C₂₁H₁₇N₅S
• 分子量: 371.465
• InChiKey: NYXOVZWVFANPJI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  72
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-benzothiazol-2-yl-4,6-diphenyl-1(6),2,3,4-tetrahydro-[1,2,4,5]tetrazine 在 lead dioxide 作用下， 以 丙酮 为溶剂， 生成 2-benzothiazol-2-yl-4,6-diphenyl-3,4-dihydro-2H-[1,2,4,5]tetrazin-1-yl
  参考文献：
  名称：

  Synthesis and properties of 1,3-diphenyl-5-(benzothiazol-2-yl)-6-R-verdazyls

  摘要：

  Novel 1,3-dipheny1-5-(benzothiazol-2-yl)-6-R-verdazyls, stable free radicals, were synthesized from the corresponding formazans by alkylation followed by cyclization and oxidation of the intermediate leucoverdazyls (yields 78-93%). The radicals were characterized by ESR, electronic and IR spectroscopy, mass spectrometry, X-ray diffraction (for one of them) and cyclic voltammetry. The resulting verdazyls are stable under ordinary conditions and are reduced more readily but more difficult to oxidize than the triphenylverdazyl analogue.

  DOI：

  10.1016/j.mencom.2018.05.023
• 作为产物：
  描述：

  Benzothiazole, 2-[[phenyl(phenylazo)methylene]hydrazino]-, (Z,E)- 、 alkaline earth salt of/the/ methylsulfuric acid 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 0.25h， 生成 2-benzothiazol-2-yl-4,6-diphenyl-1(6),2,3,4-tetrahydro-[1,2,4,5]tetrazine
  参考文献：
  名称：

  Synthesis and Spectral, Electrochemical, and Antioxidant Properties of 2-(5-Aryl-6-R-3-phenyl-5,6-dihydro-4H-1,2,4,5-tetrazin-1-yl)-1,3-benzothiazoles

  摘要：

  New 2-(5-aryl-6-R-3-phenyl-5,6-dihydro-4H-1,2,4,5-tetrazin-1-yl)-1,3-benzothiazoles were synthesized from the corresponding formazans by alkylation and subsequent cyclization of N-alkyl derivatives. The products were characterized by H-1 and C-13 NMR, IR, and mass spectra and X-ray diffraction data. Electrochemical properties and antioxidant activity of the synthesized benzothiazole derivatives were studied.

  DOI：

  10.1134/s1070428020010078

文献信息

• Investigations in the benzazole and naphthazole series
  作者：G. N. Lipunova、N. P. Bednyagina

  DOI：10.1007/bf00957383

  日期：——
• Ol'khovikova, N. B.; Rusinova, L. I.; Shmelev, L. V., Journal of General Chemistry of the USSR, <hi>1988</hi>, vol. 58, # 7, p. 1450 - 1457
  作者：Ol'khovikova, N. B.、Rusinova, L. I.、Shmelev, L. V.、Lipunova, G. N.、Klyuev, N. A.、El'tsov, A. V.

  DOI：——

  日期：——