3-cyano-3-(4-nitrophenyl)pimelonitrile | 42307-77-7

• 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: 3-cyano-3-(4-nitrophenyl)pimelonitrile
• 英文别名: γ-Cyano-γ-(p-nitrophenyl)pimelonitrile；3-(4-nitro-phenyl)-pentane-1,3,5-tricarbonitrile；3-(4-Nitro-phenyl)-pentan-1,3,5-tricarbonitril；3-(4-Nitrophenyl)pentane-1,3,5-tricarbonitrile
• CAS: 42307-77-7
• 化学式: C₁₄H₁₂N₄O₂
• 分子量: 268.275
• InChiKey: KNAXGTWWNINUMR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  117
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-cyano-3-(4-nitrophenyl)pimelonitrile 在 sodium azide 、 盐酸二甲胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以82%的产率得到3-(4-nitrophenyl)-1,3,5-tris(5-tetrazolyl)pentane
  参考文献：
  名称：

  Polynuclear Branched Tetrazole Systems. 2. New 2-(5-Tetrazolyl)ethylpodands and Their NH-Acidity

  摘要：

  DOI：

  10.1023/b:cohc.0000010646.77507.bb
• 作为产物：
  描述：

  对硝基苯乙腈 、 丙烯腈 在 1,4-二氧六环 、 苄基三甲基氢氧化铵 作用下， 生成 3-cyano-3-(4-nitrophenyl)pimelonitrile
  参考文献：
  名称：

  Prospects for the rapid detection of mealiness in apples by nondestructive NMR relaxometry

  摘要：

  The potential of nuclear magnetic resonance (NMR) relaxometry for quantitative evaluation of apple mealiness has been investigated. The degree of "mealiness" was defined by several mechanical techniques, including penetration, compression and shear rupture as well as by the BRIX (soluble solids) and juiciness levels. These data were correlated with both magnetic resonance imaging (MRI) and NMR water proton transverse relaxation time measurements on a fruit-by-fruit basis. It was found that increasing mealiness caused a systematic increase in the transverse relaxation rate. The potential for rapid, on-line NMR/MRI detection of apple mealiness is discussed.

  DOI：

  10.1007/bf03166119

文献信息

• Kaddah, A. M.; Khalil, A. M.; Tawfik, N. I., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1980, vol. 19, # 2, p. 122 - 124
  作者：Kaddah, A. M.、Khalil, A. M.、Tawfik, N. I.

  DOI：——

  日期：——
• Prospects for the rapid detection of mealiness in apples by nondestructive NMR relaxometry
  作者：P. Barreiro、A. Moya、E. Correa、M. Ruiz-Altisent、M. Fernández-Valle、A. Peirs、K. M. Wright、B. P. Hills

  DOI：10.1007/bf03166119

  日期：2002.9

  The potential of nuclear magnetic resonance (NMR) relaxometry for quantitative evaluation of apple mealiness has been investigated. The degree of "mealiness" was defined by several mechanical techniques, including penetration, compression and shear rupture as well as by the BRIX (soluble solids) and juiciness levels. These data were correlated with both magnetic resonance imaging (MRI) and NMR water proton transverse relaxation time measurements on a fruit-by-fruit basis. It was found that increasing mealiness caused a systematic increase in the transverse relaxation rate. The potential for rapid, on-line NMR/MRI detection of apple mealiness is discussed.
• Polynuclear Branched Tetrazole Systems. 2. New 2-(5-Tetrazolyl)ethylpodands and Their NH-Acidity
  作者：V. Yu. Zubarev、E. V. Bezklubnaya、A. K. Pyartman、R. E. Trifonov、V. A. Ostrovskii

  DOI：10.1023/b:cohc.0000010646.77507.bb

  日期：2003.10