ethyl 2-((4-isopropylphenyl)carbamoyl)hydrazinecarboxylate | 904469-63-2

• 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: ethyl 2-((4-isopropylphenyl)carbamoyl)hydrazinecarboxylate
• CAS: 904469-63-2
• 化学式: C₁₃H₁₉N₃O₃
• 分子量: 265.312
• InChiKey: NBLJCNJVGDIOTB-UHFFFAOYSA-N

物化性质

• 密度：
  1.170±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.59
• 重原子数：
  19.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  79.46
• 氢给体数：
  3.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  ethyl 2-((4-isopropylphenyl)carbamoyl)hydrazinecarboxylate 在 吡啶 、 N-溴代丁二酰亚胺(NBS) 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 2.0h， 生成 N1-(4-isopropylphenyl)-N2-(pyridin-3-ylmethyl)diazene-1,2-dicarboxamide
  参考文献：
  名称：

  Vajs, Jure; Sovicek, Sanja; Kureljak, Petra, Acta Chimica Slovenica, 2013, vol. 60, # 4, p. 842 - 852

  摘要：

  DOI：
• 作为产物：
  描述：

  4-异丙基苯胺 在 caesium carbonate 作用下， 以 1,4-二氧六环 为溶剂， 反应 1.5h， 生成 ethyl 2-((4-isopropylphenyl)carbamoyl)hydrazinecarboxylate
  参考文献：
  名称：

  One-pot and novel route for the synthesis of 4-substituted-1,2,4-triazolidine-3,5-diones

  摘要：

  The efficient and one-pot synthesis of 4-substituted-1,2,4-triazolidin-3,5-dione derivatives (4-substituted urazoles) via combination of triphosgene, substituted anilines, and ethyl carbazate in the presence of cesium carbonate is presented. (C) 2013 Arash Ghorbani-Choghamarani. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2013.11.020

文献信息

• Synthesis and X-ray Structural Analysis of the Ruthenium(III) Complex Na[trans-RuCl4(DMSO) (PyrDiaz)], the Diazene Derivative of Antitumor NAMI-Pyr
  作者：Jure Vajs、Andrej Pevec、Martin Gazvoda、Damijana Urankar、Evgeny Goreshnik、Slovenko Polanc、Janez Košmrlj

  DOI：10.17344/acsi.2017.3844

  日期：2017.12.15

  Novel tetrachloridoruthenium(III) complex Na[trans-RuCl4(DMSO)(PyrDiaz)] (3) with pyridine-tethered diazenedi-carboxamide PyrDiaz ligand (PyrDiaz = N-1-(4-isopropylphenyl)-N-2-(pyridin-2-ylmethyl) diazene-1,2-dicarboxamide) was synthesized by direct coupling of PyrDiaz with sodium trans-bis(dimethyl sulfoxide) tetrachloridoruthenate(III) (Na-[trans-Ru(DMSO)(2)Cl-4]). Compound 3 is the analogue of the antimetastatic Ru(III) complex NAMI-A and NAMI-Pyr. Single crystal X-ray diffraction analysis revealed that the compound 3 is a polymeric complex with the ruthenium and sodium centres.