dipivaloylmethane enol form | 23203-93-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: dipivaloylmethane enol form
• 英文别名: (Z)-2,2,6,6-tetramethylheptane-3,5-dione；2,2,6,6-tetramethyl-heptane-3,5-dione; (Z)-enol form；(Z)-5-hydroxy-2,2,6,6-tetramethyl-hept-4-en-3-one；(4Z)-5-Hydroxy-2,2,6,6-tetramethyl-4-hepten-3-one；(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one
• CAS: 23203-93-2
• 化学式: C₁₁H₂₀O₂
• 分子量: 184.279
• InChiKey: SOZFXLUMSLXZFW-FPLPWBNLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  dipivaloylmethane enol form 在 苯胺 、 zinc(II) chloride 作用下， 以 苯 为溶剂， 反应 46.0h， 生成 N-(1-tert-Butyl-3-dimethylamino-4,4-dimethyl-2-penten-1-yliden)anilin
  参考文献：
  名称：

  Knorr, Rudolf; Weiss, Alfons, Chemische Berichte, 1981, vol. 114, # 6, p. 2104 - 2115

  摘要：

  DOI：
• 作为产物：
  描述：

  2,2,6,6-四甲基-3,5-庚二酮 以 氘代氯仿 为溶剂， 生成 dipivaloylmethane enol form
  参考文献：
  名称：

  酮-烯醇互变异构中的取代基作用。第3部分。1取代对β-二羰基化合物平衡组成的影响

  摘要：

  酮-烯醇互变异构的烯醇含量和平衡自由能已在40°C下在氘代氯仿和二甲基亚砜-d 6（DMSO）中通过1 H nmr测定了一系列的1,3-二酮。已经研究了含有甲基，苯基，叔丁基，2-噻吩基，三氟甲基和乙氧基的化合物。DMSO中的平衡自由能以线性加和效应为特征，并且已经计算出代表由取代基产生的变化的取代基参数。在20–60°C的温度范围内获得了平衡的焓和熵。根据取代基对烯醇能量的影响，讨论了烯丙基1J CH =耦合常数与DMSO中的平衡自由能之间的相关性。

  DOI：

  10.1016/s0040-4020(88)90039-7

文献信息

• [EN] MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS<br/>[FR] COMPOSÉS MACROCYCLIQUES POUR L'INHIBITION D'INHIBITEURS DE L'APOPTOSE
  申请人：ENSEMBLE THERAPEUTICS

  公开号：WO2013071035A1

  公开（公告）日：2013-05-16

  The invention relates generally to macrocyclic compounds and their therapeutic use. More particularly, the invention relates to macrocyclic compounds that modulate the activity of inhibitors of apoptosis (IAPs) and/or are useful in the treatment of medical conditions, such as cancer.

  这项发明通常涉及大环化合物及其治疗用途。更具体地，该发明涉及调节凋亡抑制蛋白（IAPs）活性的大环化合物和/或用于治疗癌症等医疗状况的化合物。
• [EN] COMBINATION OF A HOST COMPOUND AND A DOPANT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME<br/>[FR] COMBINAISON D'UN COMPOSÉ HÔTE ET D'UN COMPOSÉ DOPANT ET DISPOSITIF ÉLECTROLUMINESCENT ORGANIQUE COMPRENANT LA COMBINAISON.
  申请人：ROHM & HAAS ELECT MAT

  公开号：WO2015056993A1

  公开（公告）日：2015-04-23

  The present disclosure relates to a specific combination of a dopant compound and a host compound, and an organic electroluminescent device comprising the combination. By comprising the combination of the present disclosure, the organic electroluminescent device showing excellence in luminous efficiency, power efficiency, and color purity, low driving voltage, and good lifespan can be provided.

  本公开涉及一种特定的掺杂物化合物和基底化合物的组合，以及包括该组合的有机电致发光器件。通过采用本公开的组合，可以提供具有优异发光效率、功率效率和色纯度、低驱动电压以及良好寿命的有机电致发光器件。
• ORGANIC METAL COMPOUND, ORGANIC LIGHT-EMITTING DEVICES EMPLOYING THE SAME
  申请人：INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE

  公开号：US20170155063A1

  公开（公告）日：2017-06-01

  Organic metal compounds, and organic light-emitting devices employing the same are provided. The organic metal compound has a chemical structure represented by formula (I): wherein each R 1 is independent and can be hydrogen, C 1-12 alkyl group, C 1-12 alkoxy group, amine, C 2-6 alkenyl group, C 2-6 alkynyl group, C 5-10 cycloalkyl group, C 3-12 heteroaryl group, or C 6-12 aryl group; R 2 , R 3 , R 4 , and R 5 are independent and can be hydrogen, halogen, C 1-12 alkyl group, C 1-12 fluoroalkyl group, or two adjacent groups of R 2 , R 3 , R 4 , and R 5 are optionally combined with the carbon atoms which they are attached to, to form a cycloalkyl group, or aryl group; R 6 and R 7 are independent and can be C 1-6 alkyl group, or phenyl group; and, n is 0 or 1.

  提供有机金属化合物以及应用这些有机金属化合物的有机发光器件。有机金属化合物具有由式(I)表示的化学结构：其中每个R1独立地可以是氢、C1-12烷基基团、C1-12烷氧基团、胺、C2-6烯基基团、C2-6炔基基团、C5-10环烷基基团、C3-12杂芳基团或C6-12芳基基团；R2、R3、R4和R5独立地可以是氢、卤素、C1-12烷基基团、C1-12氟烷基团或R2、R3、R4和R5中的两个相邻基团可选地与它们附着的碳原子结合，形成环烷基团或芳基团；R6和R7独立地可以是C1-6烷基基团或苯基团；n为0或1。
• Screening structure–property correlations and device performance of Ir(iii) complexes in multi-layer PhOLEDs
  作者：Nan Tian、Daniel Lenkeit、Simon Pelz、Dimitrios Kourkoulos、Dirk Hertel、Klaus Meerholz、Elisabeth Holder

  DOI：10.1039/c1dt11059d

  日期：——

  The structure–property correlations of a set of heteroleptic red- and green-emitting Ir(III) complexes with different temperature sensitivities and charge trapping capabilities are described, revealing superb performance in multi-layer phosphorescent organic light-emitting diodes (PhOLEDs) expressed by very high maximum luminous efficiencies up to 36.8 cd A−1. Using 2-phenylpyridine and with 2-(naphthalen-1-yl)pyridine as the C⁁N ligand, the resulting red emitting complex featured a maximum luminous efficiency of 10.8 cd A−1; one of the most excellent device performances within this class of red Ir(III) emitters.

  该研究描述了一组具有不同温度敏感性和电荷捕获能力的异极红绿发光铱（III）配合物的结构与性能相关性，揭示了其在多层磷光有机发光二极管（PhOLED）中的卓越性能，其最大光效高达 36.8 cd Aâ1。使用 2-苯基吡啶和 2-（萘-1-基）吡啶作为 CâN 配体，得到的红色发光复合物的最大发光效率为 10.8 cd Aâ1 ；这是该类红色 Ir(III) 发光体中性能最出色的器件之一。
• ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND
  申请人：Samsung Electronics Co., Ltd.

  公开号：US20210122774A1

  公开（公告）日：2021-04-29

  Provided are an organometallic compound, and an organic light-emitting device and a diagnostic composition, each including the organometallic compound represented by Formula 1 below: M(L 1 ) n1 (L 2 ) n2 Formula 1 wherein, in Formula 1, M is a transition metal, L 1 is a ligand represented by Formula 1-1, n1 is 1, 2, or 3, and when n1 is 2 or more, two or more L 1 (s) are identical to or different from each other, L 2 is a ligand represented by Formula 1-2, n2 is 0, 1, 2, 3, or 4, and when n2 is 2 or more, two or more L 2 (s) are identical to or different from each other.

  提供了一种有机金属化合物，以及包括下面的Formula 1所代表的有机金属化合物的有机发光器件和诊断组合物： M(L1)n1(L2)n2 其中，在Formula 1中， M是过渡金属， L1是由Formula 1-1表示的配体， n1为1、2或3，当n1为2或更多时，两个或更多个L1相同或不同， L2是由Formula 1-2表示的配体， n2为0、1、2、3或4，当n2为2或更多时，两个或更多个L2相同或不同。