N'-formyl-formohydrazonic acid ethyl ester | 6699-99-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N'-formyl-formohydrazonic acid ethyl ester
• 英文别名: 1-Ethoxymethylen-2-formyl-hydrazin；ethyl N-formylmethanehydrazonate
• CAS: 6699-99-6
• 化学式: C₄H₈N₂O₂
• 分子量: 116.12
• InChiKey: AEGKZVXUWSTSLO-UHFFFAOYSA-N

物化性质

• 沸点：
  155.0±23.0 °C(Predicted)
• 密度：
  1.06±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  8
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  50.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N'-formyl-formohydrazonic acid ethyl ester 生成 1,3,4-噁二唑
  参考文献：
  名称：

  Alkyl-1,3,4-oxadiazoles

  摘要：

  DOI：

  10.1021/jo01348a531
• 作为产物：
  描述：

  甲酰肼 、 原甲酸三甲酯 以 甲醇 为溶剂， 反应 4.0h， 生成 N'-formyl-formohydrazonic acid ethyl ester
  参考文献：
  名称：

  Synthesis, spectroscopic, thermal and magnetic characterization of novel spin-crossover iron(II) complexes with 4-cyclopropyl-1,2,4-triazole

  摘要：

  The new bidentate ligand 4-cyclopropyl-1,2,4-triazole (4-C(3)trz) has been synthesized and used for preparing 1D Fe(II) SCO compounds of the formula [Fe(4-C(3)trz)(3)](X)(2)center dot nH(2)O; where: X = BF4, n = 3 for compound (1) and X = ClO4, n = 2 for compound (2). The new complexes (1) and (2) were characterized using elemental analyses, IR-, mass spectroscopy and thermal analysis. The thermally induced spin-crossover behavior of the complexes was inspected by temperature dependent magnetic susceptibility (SQUID) and DSC measurements. The results of magnetic susceptibility (SQUID) and DSC showed abrupt and complete spin transition with a hysteresis loop T-1/2(up arrow) = 230/222, T-1/2(down arrow) = 221/208 K for complex (1) and T-1/2(up arrow) = 218/193, T-1/2(down arrow) = 202/183 K for complex (2) using SQUID/DSC, respectively. The enthalpy and entropy associated with the spin transition (ST) evaluated by DSC results were Delta H-trans = +21.6 and +20.4 kJ mol(-1) and Delta S-trans =+ 97.5 and + 105.5 J mol(-1) K-1 for the (1) and (2), respectively. (C) 2014 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2014.04.017

文献信息

• <i>N</i>-Acylethoxymethylene Hydrazones as the Source of a C₁Fragment
  作者：Marijan Kočevar、Polona Sušin、Slovenko Polanc

  DOI：10.1055/s-1993-25937

  日期：——

  The title compounds were found to be efficient reagents for the ring closure of the appropriate hydrazines or o-phenylenediamine. A new C=C bond was formed on their reaction with 1,3-dimethylbarbituric acid.

  所述化合物被发现是合适的肼或邻苯二胺环闭合的有效试剂。它们与1,3-二甲基巴比妥酸反应时形成了一个新的C=C键。
• Alkyl-1,3,4-oxadiazoles
  作者：C. Ainsworth、R. E. Hackler

  DOI：10.1021/jo01348a531

  日期：1966.10
• Synthesis, spectroscopic, thermal and magnetic characterization of novel spin-crossover iron(II) complexes with 4-cyclopropyl-1,2,4-triazole
  作者：Ahmed A. Soliman、Mohamed M. Khattab、Hosam H. Abdelhady、Ivan Šalitroš、Wolfgang Linert

  DOI：10.1016/j.ica.2014.04.017

  日期：2014.7

  The new bidentate ligand 4-cyclopropyl-1,2,4-triazole (4-C(3)trz) has been synthesized and used for preparing 1D Fe(II) SCO compounds of the formula [Fe(4-C(3)trz)(3)](X)(2)center dot nH(2)O; where: X = BF4, n = 3 for compound (1) and X = ClO4, n = 2 for compound (2). The new complexes (1) and (2) were characterized using elemental analyses, IR-, mass spectroscopy and thermal analysis. The thermally induced spin-crossover behavior of the complexes was inspected by temperature dependent magnetic susceptibility (SQUID) and DSC measurements. The results of magnetic susceptibility (SQUID) and DSC showed abrupt and complete spin transition with a hysteresis loop T-1/2(up arrow) = 230/222, T-1/2(down arrow) = 221/208 K for complex (1) and T-1/2(up arrow) = 218/193, T-1/2(down arrow) = 202/183 K for complex (2) using SQUID/DSC, respectively. The enthalpy and entropy associated with the spin transition (ST) evaluated by DSC results were Delta H-trans = +21.6 and +20.4 kJ mol(-1) and Delta S-trans =+ 97.5 and + 105.5 J mol(-1) K-1 for the (1) and (2), respectively. (C) 2014 Elsevier B. V. All rights reserved.