| 1334037-97-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• CAS: 1334037-97-6
• 化学式: C₁₄H₇F₇N₂
• 分子量: 336.212
• InChiKey: JFKIGMCZBTWHKU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.01
• 重原子数：
  23.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  28.68
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  2,3-二氨基萘 、 1,2-环氧-1,1,2,3,3,4,4,4-八氟丁烷 在 碳酸氢钠 作用下， 以 乙醚 为溶剂， 反应 6.0h， 以76%的产率得到3-(pentafluoroethyl)benzo[g]-2(1H)-qinoxalinone
  参考文献：
  名称：

  Synthesis and structure of reaction products obtained from 1,2-epoxyperfluorobutane and bifunctional nucleophilic reagents

  摘要：

  1,2-Epoxyperfluorobutane readily reacts with bifunctional nucleophilic reagents to provide heterocyclic compounds with a pentafluoroethyl substituent. The reaction of this epoxide with thiourea and acetone thiosemicarbazone gave rise to 2-amino-5-pentafluoroethyl-5-fluoro-4(5H)-thiazolinone and 2-iso-propylidenehydrazono-5-pentafluoroethyl-5-fluoro-4-thiazolidinone respectively. The reaction of 1,2-epoxyperfluorobutane with o-phenylenediamine and 2,3-diaminonaphthalene afforded in high yields 3-pentafluoroethyl-2(1H)-quinoxalinone and 3-(pentafluoroethyl)benzo[g]-2(1H)-quinoxalinone. The molecular and crystal structure of the obtained fluorine-containing heterocycles was established by XRD analysis.

  DOI：

  10.1134/s1070428009110219

文献信息

• Reactions of 3-(Polyfluoroalkyl)propane-1,2,3-trione-2-oximes with Diaminoarenes
  作者：N. S. Boltacheva、P. A. Slepukhin、M. G. Pervova、V. I. Filyakova、V. N. Charushin

  DOI：10.1134/s1070363219030083

  日期：2019.3

  Novel quinoxaline derivatives have been synthesized via the reaction of 3-trifhioromethyl-1,2,3-propanetrione-2-oximes with 1,2-diaminobenzene or 2,3-diaminonaphthalene: 2-trifluoromethyl-3-aroylquinoxaline and 2-trifluoromethyl-3-aroylbenzo[g]quinoxaline. Under similar conditions, 3-R-F-1,2,3-propanetrione-2-oximes [R-F = C3F7, H(CF2)(4), C4F9, and C6F13] with the same diaminoarenes have given a mixture of the condensation and fragmentation products in different ratios. The structure of (4-methylphenyl)[3-(tri-fluoromethyl)benzo[g]quinoxalin-2-yl]methanone has been elucidated by means of X-ray diffraction analysis.