4-amino-5-mercapto-3-(3-tolyloxymethyl)-s-triazole

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-amino-5-mercapto-3-(3-tolyloxymethyl)-s-triazole
• 英文别名: 4-amino-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol；4-amino-3-[(3-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione
• 化学式: C₁₀H₁₂N₄OS
• mdl: MFCD09959589
• 分子量: 236.297
• InChiKey: QSNRPMFVVKRYTA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  95
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-amino-5-mercapto-3-(3-tolyloxymethyl)-s-triazole 在 硫酸 作用下， 以 1,4-二氧六环 、 乙醇 为溶剂， 反应 25.5h， 生成
  参考文献：
  名称：

  Kalluraya, Balakrishna; Gunaga, Prashantha; Ananda, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1999, vol. 38, # 11, p. 1295 - 1298

  摘要：

  DOI：
• 作为产物：
  描述：

  3-甲苯氧基乙酸 、 硫代卡巴肼 反应 0.25h， 以75%的产率得到4-amino-5-mercapto-3-(3-tolyloxymethyl)-s-triazole
  参考文献：
  名称：

  SYNTHESIS AND ANTIFUNGAL ACTIVITY OF SOME NEW MISCELLANEOUS S-TRIAZOLES

  摘要：

  The reaction of aryloxyacetic acid with thiocarbohydrazide under condition of fusion gave the corresponding s-triazole derivatives 2a-c. The dicyano derivatives 3, 4 were obtained via reaction of compound 2c with [bis(methylsulfanyl)methylidine]malononitrile and/or ethoxymethylenemalotionitrile. Interaction of compound 2c with bromomalononitrile yielded the corresponding triazolothiadiazine derivative 5. In addition reaction of compound 2c with phenyl isothiocyanate furnished triazolothiadiazole derivative 6. Fusion of arylaminoacetic acids 8, 9 with thiocarbohydrazide afforded s-triazole derivatives 10, 11, respectively. The reaction of benzylthioacetic acid 12 with thiocarbohydrazide yielded the triazole derivative 13. When cyanoacetic acid 14 was reacted with thiocarbohydrazide the pyrazolotriazole derivative 16 was obtained. Some of the obtained compounds, showed remarkable antifungal activity comparable to the fungicide Mycostatine.

  DOI：

  10.1080/10426500108045271

文献信息

• Bano, Q; Tiwari, N; Giri, S, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1993, vol. 32, # 3, p. 399 - 403
  作者：Bano, Q、Tiwari, N、Giri, S、Nizamuddin

  DOI：——

  日期：——
• Bano, Q; Tiwari, N; Giri, S, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1992, vol. 31, # 10, p. 714 - 718
  作者：Bano, Q、Tiwari, N、Giri, S、Nizamuddin

  DOI：——

  日期：——
• Mishra Bharati; Ali, R.; Nizamuddin, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1988, vol. 27, p. 576 - 577
  作者：Mishra Bharati、Ali, R.、Nizamuddin

  DOI：——

  日期：——
• BAZARAA, H. H.;AMIN, F. E. M.;EL-FATTAH, B. ABD;KHALIFA, M., EGYPT. J. PHARM. SCI., 30,(1989) N-4, C. 473-483
  作者：BAZARAA, H. H.、AMIN, F. E. M.、EL-FATTAH, B. ABD、KHALIFA, M.

  DOI：——

  日期：——
• MISHRA, BHARATI;ALI, R.;NIZAMUDDIN, INDIAN J. CHEM. B, 27,(1988) N 6, C. 576-577
  作者：MISHRA, BHARATI、ALI, R.、NIZAMUDDIN

  DOI：——

  日期：——