2-amino-1,1,3-tricyano-3-phenylhydrazonopropene | 73567-04-1

• 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: 2-amino-1,1,3-tricyano-3-phenylhydrazonopropene
• 英文别名: 2-Amino-1,1,3-tricyan-1-propen-3-on-phenylhydrazon；2-Amino-3-(2-phenylhydrazinylidene)prop-1-ene-1,1,3-tricarbonitrile；2-amino-N-anilino-3,3-dicyanoprop-2-enimidoyl cyanide
• CAS: 73567-04-1
• 化学式: C₁₂H₈N₆
• 分子量: 236.236
• InChiKey: VTEHCXBWRGIECP-UHFFFAOYSA-N

物化性质

• 熔点：
  >300 °C
• 沸点：
  523.6±60.0 °C(Predicted)
• 密度：
  1.21±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  122
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-amino-1,1,3-tricyano-3-phenylhydrazonopropene 以 1,4-二氧六环 为溶剂， 反应 1.0h， 以90%的产率得到4-Amino-6-imino-1-phenyl-1,6-dihydro-pyridazine-3,5-dicarbonitrile
  参考文献：
  名称：

  Studies with Polyfunctionally Substituted Heterocycles: Novel Syntheses of Pyrido[4,3-d]pyridazines and of Pyrido[3,4-d]pyridazines

  摘要：

  作为我们旨在开发高效合成多官能基取代的嗪和缩合嗪的计划的一部分，我们过去已经报道了化合物I-III的高效合成。在这项工作的基础上，我们报告了我们进一步研究的结果，旨在探索化合物I-III的合成潜力。

  DOI：

  10.1135/cccc19921770
• 作为产物：
  描述：

  2-氨基-1-丙烯基-1,1,3-三甲腈 、 苯胺 在 盐酸 、 sodium acetate 、 sodium nitrite 作用下， 生成 2-amino-1,1,3-tricyano-3-phenylhydrazonopropene
  参考文献：
  名称：

  Hafez, Ebtisam Abdel Aziz; Khalifa, Mohamed Ali Elsayed; Guda, Sayed Kamel Ahmed, Zeitschrift fur Naturforschung, Teil B: Anorganische Chemie, Organische Chemie, 1980, vol. 35, # 4, p. 485 - 489

  摘要：

  DOI：

文献信息

• Design, synthesis and biological evaluation of pyrimidine-based derivatives as antitumor agents
  作者：Mohammed M. ALBRATTY、Karam A. El-SHARKAWY、Hassan A. AlHAZMI

  DOI：10.33224/rrch.2020.65.3.02

  日期：——

  In this paper we made a contentious effort to afford heterocyclic compounds with interesting biological activities. The reaction of guanidine with either activated methylene groups, arylhydrazono derivatives, dicyanopropene derivatives, malononitrile dimer or arylhydarazononitrile derivatives afforded diaminopyrimidine derivatives, aryldiazenyl pyrimidine derivatives, fused pyridopyrimidne derivatives and pyrimidopyridazine derivatives respectively.Also the reaction of guanidine with phenylhydrazono carbonyl compounds produced phenyldiazenyl pyrimidine derivatives. The latter products were directed toward the reaction with either acetic anhydride or ethylcyanoacetate to form acetamidopyrimidine derivatives and cyanoacetamidopyrimidine derivatives respectively. The latter products underwent cyclization via reaction with either activated methylene groups or activated methylene carbonyl compounds afforded pyridopyrimidne derivatives.The structures of the newly synthesized compounds were established using IR, H-1 NMR, C-13 NMR and mass spectrometry and their antitumor activity was investigated. Some of these compounds showed promising inhibitory effects on the three different cell lines.
• Isomere Diamino-alkoxy-pyridin-carbonitrile ? ihre Trennung und Verwendung als Kupplungskomponenten
  作者：Hans Junek、Georg Uray、Anna Kotzent

  DOI：10.1007/bf00799957

  日期：——
• Hafez, Ebtisam Abdel Aziz; Khalifa, Mohamed Ali Elsayed; Guda, Sayed Kamel Ahmed, Zeitschrift fur Naturforschung, Teil B: Anorganische Chemie, Organische Chemie, 1980, vol. 35, # 4, p. 485 - 489
  作者：Hafez, Ebtisam Abdel Aziz、Khalifa, Mohamed Ali Elsayed、Guda, Sayed Kamel Ahmed、Elnagdi, Mohamed Hilmy

  DOI：——

  日期：——
• Studies with Polyfunctionally Substituted Heterocycles: Novel Syntheses of Pyrido[4,3-d]pyridazines and of Pyrido[3,4-d]pyridazines
  作者：Fatma M. Manhi、Salem E. Zayed、Fatma A. Ali、Mohamed Hilmy Elnagdi

  DOI：10.1135/cccc19921770

  日期：——

  As a part of our programme aimed at developing efficient syntheses of polyfunctionally substituted azines and condensed azines, we have in the past reported efficient syntheses of compounds I-III. In conjunction of this work we report results of our further studies aimed at exploring the synthetic potentialities of I-III.

  作为我们旨在开发高效合成多官能基取代的嗪和缩合嗪的计划的一部分，我们过去已经报道了化合物I-III的高效合成。在这项工作的基础上，我们报告了我们进一步研究的结果，旨在探索化合物I-III的合成潜力。