4,4-Dimethyl-1-(2,4,6-trimethyl-phenyl)-pentane-1,3-dione | 41070-31-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4,4-Dimethyl-1-(2,4,6-trimethyl-phenyl)-pentane-1,3-dione
• 英文别名: 4,4-Dimethyl-1-(2,4,6-trimethylphenyl)pentane-1,3-dione
• CAS: 41070-31-9
• 化学式: C₁₆H₂₂O₂
• mdl: MFCD11540875
• 分子量: 246.349
• InChiKey: XRYIJVBBAXDIQT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4,4-Dimethyl-1-(2,4,6-trimethyl-phenyl)-pentane-1,3-dione 在 potassium fluoride 、 二苯并-18-冠醚-6 、 对甲苯磺酰叠氮 作用下， 以 二氯甲烷 为溶剂， 反应 20.0h， 以79%的产率得到2-Diazo-4,4-dimethyl-1-(2,4,6-trimethylphenyl)-1,3-pentandion
  参考文献：
  名称：

  An Improved Synthesis of 2-Diazo-1,3-diketones

  摘要：

  氢化钠/二苯并-18-冠-6醚体系被发现是通过克莱森缩合合成1,3-二酮的有效碱。使用氟化钾（有或没有冠醚）作为二氮转移反应中的碱，将该反应扩展到合成受阻的二氮二酮。在异构体1,3-二酮的情况下，反应的立体选择性显著提高。

  DOI：

  10.1055/s-1991-26416

文献信息

• [EN] METAL COMPLEXES WITH DIBENZO[F,H]QUINOXALINES<br/>[FR] COMPLEXES MÉTALLIQUES COMPRENANT DES DIBENZO[F,H]QUINOXALINES
  申请人：BASF SE

  公开号：WO2013104649A1

  公开（公告）日：2013-07-18

  This invention relates to electroluminescent metal complexes of the formula electronic devices comprising the metal complexes and their use in electronic devices, especially organic light emitting diodes (OLEDs). The metal complexes of formula (I) show high emission efficiency, excellent vaporizability, thermal stability, processing stability, high charge carrier mobilities, low turn-on voltage and high temperature stability of the emission color.

  该发明涉及公式为电致发光金属配合物的电子器件，包括金属配合物及其在电子器件中的应用，特别是有机发光二极管（OLEDs）。公式（I）的金属配合物显示出高发射效率、优异的蒸发性、热稳定性、加工稳定性、高载流子迁移率、低开启电压和发射颜色的高温稳定性。
• [EN] TRANSITION METAL COMPLEXES WITH CARBENE LIGANDS AND THE USE THEREOF IN OLEDS<br/>[FR] COMPLEXES DE MÉTAL DE TRANSITION AVEC DES LIGANDS CARBÈNE ET LEUR UTILISATION DANS DES DELO
  申请人：BASF SE

  公开号：WO2014177518A1

  公开（公告）日：2014-11-06

  The present invention relates to iridium and platinum carbene complexes of the general formula (I), to OLEDs (Organic Light-Emitting Diodes) which comprise such complexes, to a device selected from the group consisting of illuminating elements, stationary visual display units and mobile visual display units comprising such an OLED, to the use of such a metal-carbene complex in OLEDs, for example as emitter, matrix material, charge transport material and/or charge or exciton blocker.

  本发明涉及一般式(I)的铱和铂卡宾配合物，以及包括这种配合物的OLED（有机发光二极管），以及包括这样的OLED的照明元件、固定视觉显示单元和移动视觉显示单元的装置，以及在OLED中使用这样的金属卡宾配合物，例如作为发射体、基质材料、电荷传输材料和/或电荷或激子阻挡剂。
• PHOTO-LATENT TITANIUM CATALYSTS
  申请人：Hintermann Tobias

  公开号：US20120220685A1

  公开（公告）日：2012-08-30

  The present invention provides a photolatent Ti-chelate catalyst formulation, comprising (i) at least one compound of the formula (I) wherein R 1 is C 1 -C 20 alkyl or C 2 -C 20 alkyl which is interrupted by one or more non-consecutive O-atoms; Y is formula (II) or optionally substituted phenyl; Y 1 is formula (III) or optionally substituted phenyl; Y 2 is formula (IV) or optionally substituted phenyl; Y 3 is formula (V) or optionally substituted phenyl; R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 10 , R 11 , R 12 and R 13 independently of each other are hydrogen, halogen, optionally substituted C 1 -C 20 alkyl, or R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 10 , R 11 , R 12 and R 13 independently of each other are optionally substituted C 6 -C 14 aryl, provided that only one of R 2 , R 3 , R 4 is hydrogen and only one of R 5 , R 6 , R 7 is hydrogen and only one of R 8 , R 9 , R 10 is hydrogen and only one of R 11 , R 12 , R 13 is hydrogen; and (ii) at least one chelate ligand compound of the formula IIa, IIb or IIc, wherein Y′ is formula (VI) or formula (VII); Y′ 1 is formula (VIII) or formula (IX); R′ 2 , R′ 3 , R′ 4 , R′ 5 , R′ 6 and R′ 7 independently of each other have on of the meanings as given for R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 10 , R 11 , R 12 and R 13 ; and R′ 14 , R′ 15 and R′ 16 independently of each other have on of the meanings as given for R 14 , R 15 and R 16 .

  本发明提供了一种光潜性钛螯合催化剂配方，包括（i）至少一种式（I）化合物，其中R1是C1-C20烷基或被一个或多个不连续的氧原子打断的C2-C20烷基；Y是式（II）或可选取代的苯基；Y1是式（III）或可选取代的苯基；Y2是式（IV）或可选取代的苯基；Y3是式（V）或可选取代的苯基；R2、R3、R4、R5、R6、R7、R8、R9、R10、R11、R12和R13独立地为氢、卤素、可选取代的C1-C20烷基，或R2、R3、R4、R5、R6、R7、R8、R9、R10、R11、R12和R13独立地为可选取代的C6-C14芳基，但仅有R2、R3、R4中的一个为氢，仅有R5、R6、R7中的一个为氢，仅有R8、R9、R10中的一个为氢，仅有R11、R12、R13中的一个为氢；和（ii）至少一种螯合配体化合物，其为式IIa、IIb或IIc，其中Y'是式（VI）或式（VII）；Y'1是式（VIII）或式（IX）；R'2、R'3、R'4、R'5、R'6和R'7独立地具有R2、R3、R4、R5、R6、R7、R8、R9、R10、R11、R12和R13所给出的含义；R'14、R'15和R'16独立地具有R14、R15和R16所给出的含义之一。
• Iridium organometallic complex containing a substituted dibenzo[f,h]quinoxaline and an electronic device having an emitting layer containing the iridium complex
  申请人：UDC IRELAND LIMITED

  公开号：US10167303B2

  公开（公告）日：2019-01-01

  Iridium organometallic complexes containing a substituted dibenzo[f,h]quinoxaline having the formula are provided. These compounds are useful as orange or red emitting components of a light emitting layer in an electronic device.

  含有取代二苯并[f,h]喹喔啉的铱有机金属配合物，其式为 的铱有机金属配合物。这些化合物可用作电子设备中发光层的橙色或红色发光成分。
• Photo-latent titanium catalysts
  申请人：Hintermann Tobias

  公开号：US10207261B2

  公开（公告）日：2019-02-19

  The present invention provides a photolatent Ti-chelate catalyst formulation, comprising (i) at least one compound of the formula (I) wherein R1 is C1-C20alkyl or C2-C20alkyl which is interrupted by one or more non-consecutive O-atoms; Y is formula (II) or optionally substituted phenyl; Y1 is formula (III) or optionally substituted phenyl; Y2 is formula (IV) or optionally substituted phenyl; Y3 is formula (V) or optionally substituted phenyl; R2, R3, R4, R5, R6, R7, R8, R9, R10, R11, R12 and R13 independently of each other are hydrogen, halogen, optionally substituted C1-C20alkyl, or R2, R3, R4, R5, R6, R7, R8, R9, R10, R11, R12 and R13 independently of each other are optionally substituted C6-C14aryl, provided that only one of R2, R3, R4 is hydrogen and only one of R5, R6, R7 is hydrogen and only one of R8, R9, R10 is hydrogen and only one of R11, R12, R13 is hydrogen; and (ii) at least one chelate ligand compound of the formula IIa, IIb or IIc, wherein Y′ is formula (VI) or formula (VII); Y′1 is formula (VIII) or formula (IX); R′2, R′3, R′4, R′5, R′6 and R′7 independently of each other have on of the meanings as given for R2, R3, R4, R5, R6, R7, R8, R9, R10, R11, R12 and R13; and R′14, R′15 and R′16 independently of each other have on of the meanings as given for R14, R15 and R16.

  本发明提供了一种光螯合钛催化剂配方，包括(i)至少一种式(I)化合物 其中R1是被一个或多个非连续O原子打断的C1-C20烷基或C2-C20烷基；Y是式(II)或任选取代的苯基；Y1是式(III)或任选取代的苯基；Y2是式(IV)或任选取代的苯基；Y3是式(V)或任选取代的苯基；R2、R3、R4、R5、R6、R7、R8、R9、R10、R11、R12 和 R13 相互独立地是氢、卤素、任选取代的 C1-C20 烷基，或 R2、R3、R4、R5、R6、R7、R8、R9、R10、R11、R12 和 R13 相互独立地是氢、卤素、任选取代的 C1-C20 烷基、R12 和 R13 相互独立地为任选取代的 C6-C14 芳基，条件是 R2、R3、R4 中只有一个是氢，R5、R6、R7 中只有一个是氢，R8、R9、R10 中只有一个是氢，R11、R12、R13 中只有一个是氢；和(ii)至少一种式 IIa、IIb 或 IIc 的螯合配体化合物，其中 Y′为式(VI)或式(VII)；Y′1 为式(VIII)或式(IX)R′2、R′3、R′4、R′5、R′6 和 R′7 相互独立地具有 R2、R3、R4、R5、R6、R7、R8、R9、R10、R11、R12 和 R13 所给出的含义；R′14、R′15 和 R′16 相互独立地具有 R14、R15 和 R16 所具有的含义。