2H-Hexafluoro-3-methylnaphthalin | 38339-71-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2H-Hexafluoro-3-methylnaphthalin
• 英文别名: Naphthalene, 1,2,3,4,5,8-hexafluoro-6-methyl-；1,2,3,4,5,8-hexafluoro-6-methylnaphthalene
• CAS: 38339-71-8
• 化学式: C₁₁H₄F₆
• 分子量: 250.143
• InChiKey: KTYJWEHOAQQSPD-UHFFFAOYSA-N

物化性质

• 沸点：
  258.6±35.0 °C(Predicted)
• 密度：
  1.515±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  (1S,8R)-1,3,6,8,9,10,11,11,12,12-Decafluoro-4-methyl-tricyclo[6.2.2.0^2,7]dodeca-2(7),3,5,9-tetraene 生成 2H-Hexafluoro-3-methylnaphthalin
  参考文献：
  名称：

  多氟环己-1,3-二烯的狄尔斯-阿尔德反应。第六部分 十二氟三环[5,2,2,0] undeca-2,5,8-三烯与乙烯和炔烃的反应。多氟三环[6,2,2,0] dodeca-2,4,6,9-四烯和2,3-二取代的六氟萘的合成

  摘要：

  十二氟三环[5,2,2,0] undeca-2,5,8-三烯（1）在Diels–Alder反应中作为二烯反应。可以控制来自三烯（1）和炔烃的加合物的热解，得到多氟三环[6,2,2,0] dodeca-2,4,6,9-四烯或2,3-二取代的萘。

  DOI：

  10.1039/p19720001830

文献信息

• Fluorinated aromatic small molecules as functional additives for dispersion of conductive polymers
  申请人：Heraeus Deutschland GmbH & Co. KG

  公开号：EP3024049A1

  公开（公告）日：2016-05-25

  The present invention relates to a compound having a general formula selected from the group consisting of formula Ia and Ib wherein K represents an aromatic or heteroaromatic group in which at least one hydrogen atom may be substituted by a functional groups selected from the group consisting of a sulfonic acid group, a sulfuric acid group, an ammonium group and an aliphatic group; X is selected from the group consisting of a C-C-bond, O, S, SO2 and NR', wherein R' represents a hydrogen or an aliphatic or aromatic group; A represents a fluorinated or perfluorinated aromatic group; n represents an integer in the range from 2 to 6; m represents an integer in the range from 1 to 3. The present invention also relates to a composition comprising this compound, to a process for the preparation of a conductive layer using this composition, to a conductive layer comprising the compound according to the present invention, to electronic components comprising this conductive layer and to the use of the compound according to the present invention as an additive in a hole-injection layer of an OLED or in an organic solar cell.

  本发明涉及一种通式选自由式 Ia 和 Ib 组成的组的化合物 其中 K 代表芳香族或杂芳香族基团，其中至少一个氢原子可被选自磺酸基团、硫酸基团、铵基团和脂肪族基团的官能团取代； X 选自由 C-C-键、O、S、SO2 和 NR'组成的组，其中 R'代表氢或脂肪族或芳香族基团； A 代表氟化或全氟芳香基团； n 代表 2-6 之间的整数； m 代表 1 至 3 之间的整数。 本发明还涉及一种包含该化合物的组合物、一种使用该组合物制备导电层的工艺、一种包含根据本发明的化合物的导电层、一种包含该导电层的电子元件，以及根据本发明的化合物在有机发光二极管的注孔层或有机太阳能电池中作为添加剂的用途。
• FLUORINATED AROMATIC SMALL MOLECULES AS FUNCTIONAL ADDITIVES FOR DISPERSION OF CONDUCTIVE POLYMERS
  申请人：Heraeus Deutschland GmbH & Co KG

  公开号：EP3886194A2

  公开（公告）日：2021-09-29

  The present invention relates to a compound having a general formula Ib wherein K represents an aromatic or heteroaromatic group in which at least one hydrogen atom may be substituted by a functional groups selected from the group consisting of a sulfonic acid group, a sulfuric acid group, an ammonium group and an aliphatic group; X is selected from the group consisting of a C-C-bond, O, S, SO2 and NR', wherein R' represents a hydrogen or an aliphatic or aromatic group; A represents a fluorinated or perfluorinated aromatic group; m represents an integer in the range from 1 to 3. The present invention also relates to a composition comprising this compound, to a process for the preparation of a conductive layer using this composition, to a conductive layer comprising the compound according to the present invention, to electronic components comprising this conductive layer and to the use of the compound according to the present invention as an additive in a hole-injection layer of an OLED or in an organic solar cell.

  本发明涉及一种通式为 Ib 的化合物 式中 K 代表芳香族或杂芳族基团，其中至少一个氢原子可被选自磺酸基团、硫酸基团、铵基团和脂肪族基团的官能团取代； X 选自由 C-C-键、O、S、SO2 和 NR'组成的组，其中 R'代表氢或脂肪族或芳香族基团； A 代表氟化或全氟芳香基团； m 代表 1 至 3 之间的整数。 本发明还涉及包含本发明化合物的组合物、使用本发明组合物制备导电层的工艺、包含本发明化合物的导电层、包含本发明导电层的电子元件，以及使用本发明化合物作为 OLED 孔注入层或有机太阳能电池的添加剂。
• Diels–Alder reactions of polyfluorocyclohexa-1,3-dienes. Part VI. Reactions of dodecafluorotricyclo[5,2,2,0]undeca-2,5,8-triene with ethylene and alkynes. A synthesis of polyfluorotricyclo[6,2,2,0]dodeca-2,4,6,9-tetraenes and 2,3-disubstituted hexafluoronaphthalenes
  作者：W. J. Feast、W. K. R. Musgrave、W. E. Preston

  DOI：10.1039/p19720001830

  日期：——

  Dodecafluorotricyclo[5,2,2,0]undeca-2,5,8-triene (1) reacts as a diene in Diels–Alder reactions. Pyrolysis of adducts from the triene (1) and alkynes can be controlled to give polyfluorotricyclo[6,2,2,0]dodeca-2,4,6,9-tetraenes or 2,3-disubstituted naphthalenes.

  十二氟三环[5,2,2,0] undeca-2,5,8-三烯（1）在Diels–Alder反应中作为二烯反应。可以控制来自三烯（1）和炔烃的加合物的热解，得到多氟三环[6,2,2,0] dodeca-2,4,6,9-四烯或2,3-二取代的萘。