2,7-diethyl-9H-fluoren-9-on | 39665-91-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 2,7-diethyl-9H-fluoren-9-on
• 英文别名: 2,7-Diethyl-9-fluorenon；2,7-Diethylfluorenon；2,7-Diethylfluoren-9-one
• CAS: 39665-91-3
• 化学式: C₁₇H₁₆O
• 分子量: 236.313
• InChiKey: HLQIFTGABXVYKL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2,7-diethyl-9H-fluoren-9-on 在 氢碘酸 、 magnesium 作用下， 以 溶剂黄146 为溶剂， 反应 1.0h， 生成 2,7-Diethyl-9-o-tolyl-9H-fluorene
  参考文献：
  名称：

  Equilibria and barriers to interconversion between thesyn andanti conformers in 9-(o-substituted phenyl)fluorenes obtained by photorearrangement of triptycenes

  摘要：

  AbstractThe population ratios of the syn to the anti conformers in 9‐(2‐substituted phenyl)fluorenes have been determined by 1H NMR spectroscopy to range from 0.25 (for 2′;‐NH2) to >20 (2′;‐CHNNHC6H3(NO2)‐2,4). They appear to increase, firstly, with the steric bulk of the 2′;‐substituents and, secondly, with the electronic repulsion between the substituent and the π electrons on the fluorene ring. The unusually low population of the syn isomer in the 2′;‐NH2 compound was found by IR absorption to be due to stabilization of the anti form by NH …︁ π hydrogen bonding. Whereas the substituents on the fluorene ring do not affect the population of the two isomers in 9‐(2‐tolyl)fluorenes, the same series of substituents exhibit a positive slope in the Hammett plots of the equilibrium constants in 9‐(2‐methoxymethylphenyl)fluorenes. Through‐space interaction between the methoxymethyl group and the π‐donating fluorene ring is postulated. The free energy of activation (ΔG‡) for the interconversion between the two conformers in 9‐(2‐substitued phenyl)fluorenes have been obtained from the line‐shape depindence on temperatures. The ΔG‡ values ranged from 56.8 (for 2′‐NH2) ot 78.6kJ mol−1 when there is no fluorene ring substituent. IN three typical examples, a full line‐shape analysis gave, additionally, the ΔH‡ and ΔS‡ data of the interconversion. Introduction of a methyl group at position 1 of the fluorene ring raised. ΔG‡ by c. 13kJ mol−1.

  DOI：

  10.1002/mrc.1270190206
• 作为产物：
  描述：

  2-乙酰芴 在 sodium hydroxide 、 三氯化铝 、 sodium 、 N,N-二甲基-4-亚硝基苯胺 、 肼 作用下， 以 四氯乙烯 、 乙醇 、 乙二醇 为溶剂， 反应 2.0h， 生成 2,7-diethyl-9H-fluoren-9-on
  参考文献：
  名称：

  Gindy,M.; Eskander,E., Journal fur praktische Chemie (Leipzig 1954), 1972, vol. 314, p. 673 - 681

  摘要：

  DOI：

文献信息

• Conjugated Polymers and Their Use in Optoelectronic Devices
  申请人：Pan Hualong

  公开号：US20120187385A1

  公开（公告）日：2012-07-26

  Disclosed are certain oligomeric and polymeric compounds and their use as organic semiconductors in organic and hybrid optical, optoelectronic, and/or electronic devices such as photovoltaic cells, light emitting diodes, light emitting transistors, and field effect transistors. The disclosed compounds can provide high power conversion efficiency, fill factor, open circuit voltage, field-effect mobility, on/off current ratios, and/or air stability when used in photovoltaic cells or transistors. The disclosed compounds can have good solubility in common solvents enabling device fabrication via solution processes.

  本发明涉及某些低聚和高聚化合物及其在有机和混合光学、光电和/或电子器件中作为有机半导体的用途，例如光伏电池、发光二极管、发光晶体管和场效应晶体管。所披露的化合物在用于光伏电池或晶体管时，可以提供高功率转换效率、填充因子、开路电压、场效应迁移率、开关电流比和/或空气稳定性。所披露的化合物可以在常见溶剂中具有良好的溶解性，从而通过溶液工艺制备器件。
• PYRROLO[3,2-B]PYRROLE SEMICONDUCTING COMPOUNDS AND DEVICES INCORPORATING SAME
  申请人：Lu Shaofeng

  公开号：US20110226338A1

  公开（公告）日：2011-09-22

  Disclosed are semiconducting compounds having one or more pyrrolo[3,2-b]pyrrole-2,5(1H,4H)-dione 3,6-diyl units. Such compounds can be monomeric, oligomeric, or polymeric, and can exhibit desirable electronic properties and possess processing advantages including solution-processability and/or good stability.

  本发明涉及具有一个或多个吡咯[3,2-b]吡咯-2,5(1H,4H)-二酮3,6-二基单元的半导体化合物。这种化合物可以是单体、寡聚体或聚合物，并且可以具有理想的电子性能和加工优势，包括可溶性加工性和/或良好的稳定性。
• SEMICONDUCTOR MATERIALS PREPARED FROM DITHIENYLVINYLENE COPOLYMERS
  申请人：Mishra Ashok Kumar

  公开号：US20120217482A1

  公开（公告）日：2012-08-30

  Disclosed are new semiconductor materials prepared from dithienylvinylene copolymers with aromatic or heteroaromatic π-conjugated systems. Such copolymers, with little or no post-deposition heat treatment, can exhibit high charge carrier mobility and/or good current modulation characteristics. In addition, the polymers of the present teachings can possess certain processing advantages such as improved solution-processability and low annealing temperature.

  本发明揭示了由含芳香或杂芳香π-共轭系统的二噻吩乙烯共聚物制备的新型半导体材料。这种共聚物在很少或没有沉积后热处理的情况下，可以表现出高载流子迁移率和/或良好的电流调制特性。此外，本发明所述的聚合物还具有某些加工优点，如改善的溶液加工性和低退火温度。
• Selbstorganisation von Molekülen über kovalente Bindungen: Selektive Tetramerisierung einesp-Chinodimethans
  作者：Junes Ipaktschi、Rahman Hosseinzadeh、Peter Schlaf、Erhard Dreiseidler、Richard Goddard

  DOI：10.1002/(sici)1522-2675(19981007)81:10<1821::aid-hlca1821>3.0.co;2-c

  日期：1998.10.7

  A simple and efficient synthesis of paracyclophane derivatives based on self-organization of a quinodimethane is described. Treatment of dibromides 5a-d with mercury afforded in high yield the macrocyclic compounds 6a-d. Interestingly, these compounds change the color on grinding and heating, from colorless to violet. The structure of 6a-d was determined by spectroscopic analyses. Single-crystal structure analysis of 6b and 6c confirmed the proposed structure.
• Bruch,M. et al., Justus Liebigs Annalen der Chemie, 1976, p. 74 - 88
  作者：Bruch,M. et al.

  DOI：——

  日期：——