4-hydroxylamino-1,1,2,2,9,9,10,10-octafluoro[2.2]paracyclophane | 257863-36-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 1-羟基氨基，4-未取代的苯类化合物
• 英文名称: 4-hydroxylamino-1,1,2,2,9,9,10,10-octafluoro[2.2]paracyclophane
• 英文别名: N-(2,2,3,3,8,8,9,9-octafluoro-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)hydroxylamine
• CAS: 257863-36-8
• 化学式: C₁₆H₉F₈NO
• 分子量: 383.241
• InChiKey: GXKZRTMSRRVAFB-UHFFFAOYSA-N

物化性质

• 熔点：
  160-162 °C
• 沸点：
  328.6±52.0 °C(Predicted)
• 密度：
  1.57±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  26
• 可旋转键数：
  1
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  32.3
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  4-hydroxylamino-1,1,2,2,9,9,10,10-octafluoro[2.2]paracyclophane 在 盐酸 、 硫酸 、 铁粉 、 sodium nitrite 作用下， 以 乙醇 、 水 、 溶剂黄146 为溶剂， 反应 7.0h， 生成 1,1,2,2,9,9,10,10-八氟[2.2]二聚对二甲苯
  参考文献：
  名称：

  Electrophilic Substitution of 1,1,2,2,9,9,10,10-Octafluoro[2.2]paracyclophane

  摘要：

  Nitration of octafluoro[2.2]paracyclophane (OFP) provides an entry into the synthesis of a series of II monosubstituted OFPs, including the nitro, amino, chloro, bromo, iodo, hydroxy, and trifluoromethyl compounds. The NMR, mass spectrometric, and UV spectral properties of all of these derivatives are presented and discussed, and they are compared with those of its hydrocarbon analogue, [2.2]paracyclophane.

  DOI：

  10.1021/jo9910536
• 作为产物：
  描述：

  1,1,2,2,9,9,10,10-八氟[2.2]二聚对二甲苯 在 platinum(IV) oxide nitronium tetrafluoborate 、 氢气 作用下， 以 环丁砜 、 乙酸乙酯 为溶剂， 反应 40.0h， 生成 4-hydroxylamino-1,1,2,2,9,9,10,10-octafluoro[2.2]paracyclophane
  参考文献：
  名称：

  Electrophilic Substitution of 1,1,2,2,9,9,10,10-Octafluoro[2.2]paracyclophane

  摘要：

  Nitration of octafluoro[2.2]paracyclophane (OFP) provides an entry into the synthesis of a series of II monosubstituted OFPs, including the nitro, amino, chloro, bromo, iodo, hydroxy, and trifluoromethyl compounds. The NMR, mass spectrometric, and UV spectral properties of all of these derivatives are presented and discussed, and they are compared with those of its hydrocarbon analogue, [2.2]paracyclophane.

  DOI：

  10.1021/jo9910536

文献信息

• Electrophilic Substitution of 1,1,2,2,9,9,10,10-Octafluoro[2.2]paracyclophane
  作者：Alex J. Roche、William R. Dolbier

  DOI：10.1021/jo9910536

  日期：1999.12.1

  Nitration of octafluoro[2.2]paracyclophane (OFP) provides an entry into the synthesis of a series of II monosubstituted OFPs, including the nitro, amino, chloro, bromo, iodo, hydroxy, and trifluoromethyl compounds. The NMR, mass spectrometric, and UV spectral properties of all of these derivatives are presented and discussed, and they are compared with those of its hydrocarbon analogue, [2.2]paracyclophane.