HacacNO2 | 70501-08-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: HacacNO2
• 英文别名: 4-Hydroxy-3-nitropent-3-en-2-one
• CAS: 70501-08-5
• 化学式: C₅H₇NO₄
• 分子量: 145.115
• InChiKey: OKTLCBUXSQVMTF-UHFFFAOYSA-N

物化性质

• 沸点：
  267.8±40.0 °C(Predicted)
• 密度：
  1.299±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  83.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  HacacNO2 在 硼酸三丁酯 、 三氟化硼乙醚 作用下， 以 乙醚 为溶剂， 反应 3.0h， 以60%的产率得到2,2-difluoro-4,6-dimethyl-5-nitro-2H-1l³,3,2l⁴-dioxaborinine
  参考文献：
  名称：

  α-substituted boron difluoride acetylacetonates

  摘要：

  By treatment of a-substituted acetylacetone derivatives with boron trifluoride etherate a series of earlier unknown boron difluoride complexes is obtained. The series includes binuclear complexes containing boron in the chelate fragment connected via sulfur or selenium atom. Gas chromatographic and spectral characteristics of the obtained compounds were investigated. By means of chromato-mass spectrometry their reaction with hydrazine in acidic and alkaline media was studied.

  DOI：

  10.1134/s1070363208080094
• 作为产物：
  描述：

  bis(3-nitro-2,4-pentanedionato)copper(II) 在 硫酸 作用下， 以 氯仿 、 水 为溶剂， 生成 HacacNO2
  参考文献：
  名称：

  α-substituted boron difluoride acetylacetonates

  摘要：

  By treatment of a-substituted acetylacetone derivatives with boron trifluoride etherate a series of earlier unknown boron difluoride complexes is obtained. The series includes binuclear complexes containing boron in the chelate fragment connected via sulfur or selenium atom. Gas chromatographic and spectral characteristics of the obtained compounds were investigated. By means of chromato-mass spectrometry their reaction with hydrazine in acidic and alkaline media was studied.

  DOI：

  10.1134/s1070363208080094

文献信息

• α-substituted boron difluoride acetylacetonates
  作者：I. V. Svistunova、E. V. Fedorenko

  DOI：10.1134/s1070363208080094

  日期：2008.8

  By treatment of a-substituted acetylacetone derivatives with boron trifluoride etherate a series of earlier unknown boron difluoride complexes is obtained. The series includes binuclear complexes containing boron in the chelate fragment connected via sulfur or selenium atom. Gas chromatographic and spectral characteristics of the obtained compounds were investigated. By means of chromato-mass spectrometry their reaction with hydrazine in acidic and alkaline media was studied.