m-nitrobenzaldehyde O-[(4-methylphenyl)sulphonyl]-oxime | 1517-41-5

• 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: m-nitrobenzaldehyde O-[(4-methylphenyl)sulphonyl]-oxime
• 英文别名: syn-3-Nitro-benzaldoxim-p-toluolsulfonat
• CAS: 1517-41-5
• 化学式: C₁₄H₁₂N₂O₅S
• 分子量: 320.326
• InChiKey: HXBGAZYKVAZWLE-XNTDXEJSSA-N

物化性质

• 沸点：
  481.8±55.0 °C(Predicted)
• 密度：
  1.35±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.64
• 重原子数：
  22.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  98.87
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  m-nitrobenzaldehyde O-[(4-methylphenyl)sulphonyl]-oxime 生成 对甲苯磺酸 、 间硝基苯腈
  参考文献：
  名称：

  Kinetics and mechanism of pyrolysis of sulphonyl hydrazones and oximes. Part 2—Structural effects and molecular reactivity

  摘要：

  The kinetics and products of the pyrolytic reaction of six tosyl arenecarboxaldoximes were studied over the temperature range ca 334 - 401 K to yield the following Arrhenius log A/s(-l) and E-a/kJ mol(-1), respectively: 10.92 and 98.25 for tosyl benzaldoxime and 10.83 and 100.4 for m-nitro-, 10.66 and 97.53 for p-chloro-, 11.80 and 107.8 for m-chloro-, 11.60 and 101.5 for p-methyl- and 10.84 and 97.75 for p-methoxybenzaldehyde O-[(4-methylphenyl) sulphonyl]oxime. At 500 K, the oxime compounds were found to be 9.4 x 10(3) - 2.7 x 10(4)-fold more reactive than their hydrazone analogues. Copyright (C) 1999 John Wiley & Sons, Ltd.

  DOI：

  10.1002/(sici)1099-1395(199908)12:8<654::aid-poc168>3.0.co;2-l
• 作为产物：
  描述：

  -3-硝基苯甲醛肟 、 对甲苯磺酰氯 在 sodium amide 作用下， 以 乙醚 、 水 、 丙酮 为溶剂， 反应 5.0h， 以50%的产率得到m-nitrobenzaldehyde O-[(4-methylphenyl)sulphonyl]-oxime
  参考文献：
  名称：

  Kinetics and mechanism of pyrolysis of sulphonyl hydrazones and oximes. Part 2—Structural effects and molecular reactivity

  摘要：

  The kinetics and products of the pyrolytic reaction of six tosyl arenecarboxaldoximes were studied over the temperature range ca 334 - 401 K to yield the following Arrhenius log A/s(-l) and E-a/kJ mol(-1), respectively: 10.92 and 98.25 for tosyl benzaldoxime and 10.83 and 100.4 for m-nitro-, 10.66 and 97.53 for p-chloro-, 11.80 and 107.8 for m-chloro-, 11.60 and 101.5 for p-methyl- and 10.84 and 97.75 for p-methoxybenzaldehyde O-[(4-methylphenyl) sulphonyl]oxime. At 500 K, the oxime compounds were found to be 9.4 x 10(3) - 2.7 x 10(4)-fold more reactive than their hydrazone analogues. Copyright (C) 1999 John Wiley & Sons, Ltd.

  DOI：

  10.1002/(sici)1099-1395(199908)12:8<654::aid-poc168>3.0.co;2-l