3-(p-methyl-phenyl)-1,6-dihydro-1,2,4,5-tetrazine | 78199-58-3

• 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: 3-(p-methyl-phenyl)-1,6-dihydro-1,2,4,5-tetrazine
• 英文别名: 3-(para-methylphenyl)-1,6-dihydro-1,2,4,5-tetrazin；3-p-Tolyl-1,6-dihydro-[1,2,4,5]tetrazine；3-(4-methylphenyl)-1,6-dihydro-1,2,4,5-tetrazine
• CAS: 78199-58-3
• 化学式: C₉H₁₀N₄
• 分子量: 174.205
• InChiKey: BEPLDIBFAWQRFC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  49.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-(4-甲基苯基)-1,2,4,5-四嗪 在 sodium tetrahydroborate 作用下， 以44%的产率得到3-(p-methyl-phenyl)-1,6-dihydro-1,2,4,5-tetrazine
  参考文献：
  名称：

  Nuclear magnetic resonance of adducts of heterocyclic systems with nucleophiles. 27. 1,2,4,5-Tetrazine and its derivatives. 4. Carbon-13 nuclear magnetic resonance investigations of the anionic homoaromatic .sigma. adducts formed between liquid ammonia and 1,2,4,5-tetrazines

  摘要：

  DOI：

  10.1021/jo00332a008

文献信息

• Nuclear magnetic resonance of adducts of heterocyclic systems with nucleophiles. 27. 1,2,4,5-Tetrazine and its derivatives. 4. Carbon-13 nuclear magnetic resonance investigations of the anionic homoaromatic .sigma. adducts formed between liquid ammonia and 1,2,4,5-tetrazines
  作者：Anda Counotte-Potman、Henk C. Van der Plas、Beb Van Veldhuizen

  DOI：10.1021/jo00332a008

  日期：1981.9

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