pseudo-o-bis(trifluoroacetamido)-1,1,2,2,9,9,10,10-octafluoro[2.2]paracyclophane | 300701-03-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: pseudo-o-bis(trifluoroacetamido)-1,1,2,2,9,9,10,10-octafluoro[2.2]paracyclophane
• 英文别名: pseudo-p-bis(trifluoroacetamido)-1,1,2,2,9,9,10,10-octafluoro[2.2]paracyclophane；pseudo ortho-bis(trifluoroacetamido)-1,1,2,2,9,9,10,10-octafluoro[2,2]paracyclophane；2,2,2-trifluoro-N-[2,2,3,3,8,8,9,9-octafluoro-11-[(2,2,2-trifluoroacetyl)amino]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]acetamide
• CAS: 300701-03-5；300766-07-8
• 化学式: C₂₀H₈F₁₄N₂O₂
• 分子量: 574.273
• InChiKey: KYAJKSDNQQUKCK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  38
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  58.2
• 氢给体数：
  2
• 氢受体数：
  16

反应信息

• 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 盐酸 、 nitronium tetrafluoborate 、 铁粉 作用下， 以 环丁砜 、 乙醇 为溶剂， 反应 4.0h， 生成 pseudo-o-bis(trifluoroacetamido)-1,1,2,2,9,9,10,10-octafluoro[2.2]paracyclophane
  参考文献：
  名称：

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

  摘要：

  Synthetic methods for introduction of two substituents into the rings of octafluoroparacyclophane are presented. Nitration gives three isomers with nitro substituents on different rings: pseudoortho, pseudo-mete, and pseudo-para, in equal amounts. These dinitro compounds are shown to be precursors of a variety of other disubstituted OFF derivatives. Methods of characterization of isomeric disubstituted OFPs are extensively discussed, and the H-1 and F-19 NMR spectra of these derivatives are analyzed explicitly.

  DOI：

  10.1021/jo000436x

文献信息

• Process for the preparation of derivatives of octafluoro-[2,2] paracylophane
  申请人：Specialty Coating Systems, Inc.

  公开号：US06392097B1

  公开（公告）日：2002-05-21

  Processes for the preparation of parylene dimers, and more particularly to processes for the preparation of derivatives of octafluoro-[2,2]paracylophane, otherwise known as AF4.

  用于制备对聚对二甲苯二聚物的方法，更具体地说是用于制备八氟[2,2]对环烷衍生物的方法，也称为AF4。
• Multiple 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/jo000436x

  日期：2000.8.1

  Synthetic methods for introduction of two substituents into the rings of octafluoroparacyclophane are presented. Nitration gives three isomers with nitro substituents on different rings: pseudoortho, pseudo-mete, and pseudo-para, in equal amounts. These dinitro compounds are shown to be precursors of a variety of other disubstituted OFF derivatives. Methods of characterization of isomeric disubstituted OFPs are extensively discussed, and the H-1 and F-19 NMR spectra of these derivatives are analyzed explicitly.