1-Methyl-2,3,4,5,6-pentakis(trifluoromethyl)benzene | 1018330-43-2

• 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: 1-Methyl-2,3,4,5,6-pentakis(trifluoromethyl)benzene
• 英文别名: 1-methyl-2,3,4,5,6-pentakis(trifluoromethyl)benzene
• CAS: 1018330-43-2
• 化学式: C₁₂H₃F₁₅
• 分子量: 432.132
• InChiKey: BREJQUNOMDSMID-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  27
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  15

反应信息

• 作为产物：
  描述：

  Pentaiodotoluene 、 (三氟甲基)三甲基硅烷 在 potassium fluoride 、 copper(I) bromide 作用下， 以 N-甲基吡咯烷酮 、 N,N-二甲基甲酰胺 为溶剂， 反应 14.0h， 以41%的产率得到1-Methyl-2,3,4,5,6-pentakis(trifluoromethyl)benzene
  参考文献：
  名称：

  五元（三氟甲基）苯基，一个空间拥挤且吸电子的基团：五元（三氟甲基）苯，-甲苯，-苯酚和-苯胺的合成和酸度

  摘要：

  提出了一种功能化的五（三氟甲基）苯基（C 6（CF 3）5）衍生物的一般路线，这是设计新颖稳定的卡宾，自由基，超强酸，弱配位阴离子和其他实际和理论上有用的物种的有前途的组成部分。这种全三氟甲基化途径是通过方便地预生成的（三氟甲基）铜（CF 3通过添加1,3-二甲基-2-咪唑啉酮（DMI）来稳定DMF中的Cu）物种。这些物质在环境温度下与六碘苯反应，得到五（三氟甲基）苯酚钾以及六（三氟甲基）苯和五（三氟甲基）苯，合计产率为80％。提出了可能的解释五（三氟甲基）苯酚五氧化物形成的反应途径。五（三氟甲基）苯酚产生易于官能化的五（三氟甲基）氯苯和五（三氟甲基）苯胺。五碳五氯苯和五碳五甲苯的全三氟甲基化分别允许直接获得五（三氟甲基）氯苯和五（三氟甲基）甲苯。几个C 6（CF 3）的XRD结构确定了5个导数并将其与计算的结构进行比较。由于空间拥挤，所有C 6（CF 3）5衍生物中的芳环都明显变形。已经

  DOI：

  10.1021/jo702513w

文献信息

• ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING ORGANOMETALLIC COMPOUND
  申请人：Samsung Electronics Co., Ltd.

  公开号：US20210155647A1

  公开（公告）日：2021-05-27

  Provided are an organometallic compound represented by Formula 1, an organic light-emitting device including the organometallic compound, and a diagnostic composition including the organometallic compound: M(L 1 ) n1 (L 2 ) n2 Formula 1 wherein, in Formula 1, M, L 1 , L 2 , n1 and n2 may each be understood by referring to the descriptions thereof provided herein.

  提供了一个由公式1表示的有机金属化合物，包括该有机金属化合物的有机发光器件，以及包括该有机金属化合物的诊断组合物：M（L1）n1（L2）n2 在公式1中，M、L1、L2、n1和n2可以通过参考此处提供的描述来理解。
• COMPOSITION AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME
  申请人：Samsung Electronics Co., Ltd.

  公开号：US20200308201A1

  公开（公告）日：2020-10-01

  A composition including a first compound including a compound represented by Formula 1, a second compound including a compound represented by Formula 2, and a third compound including a compound represented by Formula 3, and an organic light-emitting device including the composition: wherein the description of Formulae 1 to 3 are the same as described in the specification.

  包括第一化合物，其中该化合物由式1表示的化合物组成，第二化合物，其中该化合物由式2表示的化合物组成，以及第三化合物，其中该化合物由式3表示的化合物组成的组合物，以及包括该组合物的有机发光器件：其中，式1至3的描述与说明书中描述的相同。
• ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE
  申请人：Samsung Electronics Co., Ltd.

  公开号：US20210355148A1

  公开（公告）日：2021-11-18

  An organometallic compound represented by Formula 1: wherein, in Formula 1, R 37 is hydrogen, deuterium, a substituted or unsubstituted C 1 -C 60 alkyl group, a substituted or unsubstituted C 3 -C 10 cycloalkyl group, a substituted or unsubstituted C 2 -C 10 heterocycloalkyl group, a substituted or unsubstituted C 6 -C 60 aryl group, a substituted or unsubstituted C 2 -C 60 heteroaryl group, a substituted or unsubstituted monovalent non-aromatic condensed polycyclic group, or a substituted or unsubstituted monovalent non-aromatic condensed heteropolycyclic group; and ring CY 1 , R 21 to R 26 , R 30a , and R 30b , are as described herein.

  一个由化学式1表示的有机金属化合物：在化学式1中，R37是氢、氘、取代或未取代的C1-C60烷基基团、取代或未取代的C3-C10环烷基基团、取代或未取代的C2-C10杂环烷基基团、取代或未取代的C6-C60芳基基团、取代或未取代的C2-C60杂芳基团、取代或未取代的一价非芳香缩合多环基团，或取代或未取代的一价非芳香缩合杂多环基团；环CY1、R21到R26、R30a和R30b如在此处描述的那样。
• COLORED PHOTOSENSITIVE COMPOSITION
  申请人：Maeda Yosuke

  公开号：US20130306920A1

  公开（公告）日：2013-11-21

  Disclosed is a colored (alkali-developable) photosensitive composition using a compound that is excellent in solubility and heat-resistance in a resin composition, and also relates to an optical filter using the colored (alkali-developable) photosensitive composition, specifically a color filter that does not decrease luminance and thus is preferable for image display devices such as liquid crystal display panels. Specifically, disclosed is a colored (alkali-developable) photosensitive composition containing (A) a dye that contains at least one kind of compound represented by any of the general formulas (1) to (4), (B) a polymerizable compound having an ethylenically unsaturated bond or (B′) a polymerizable compound having an ethylenically unsaturated bond, which has alkali-developability, and (C) a photopolymerization initiator, and use of the composition. The compound represented by any of the general formulas (1) to (4) is as described.
• ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, AND ELECTRONIC APPARATUS INCLUDING ORGANIC LIGHT-EMITTING APPARATUS
  申请人：Samsung Electronics Co., Ltd.

  公开号：US20220131085A1

  公开（公告）日：2022-04-28

  An organometallic compound represented by Formula 1: M(L 1 ) n1 (L 2 ) n2 Formula 1 wherein, in Formula 1, M, L 1 , L 2 , n1, and n2 may be understood by referring to the descriptions of M, L 1 , L 2 , n1, and n2 respectively as disclosed herein.