3,6-diethyl-9H-fluoren-9-on | 216312-76-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 3,6-diethyl-9H-fluoren-9-on
• 英文别名: 3,6-Diethylfluoren-9-one
• CAS: 216312-76-4
• 化学式: C₁₇H₁₆O
• 分子量: 236.313
• InChiKey: RDEVPGVFWSGJAH-UHFFFAOYSA-N

物化性质

• 沸点：
  401.3±25.0 °C(predicted)
• 密度：
  1.122±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

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：

  1,4-二溴苯 、 3,6-diethyl-9H-fluoren-9-on 在 叔丁基锂 作用下， 生成 9,9'-(1,4-phenylene)bis<3,6-diethyl-9H-fluoren-9-ol>
  参考文献：
  名称：

  Selbstorganisation von Molekülen über kovalente Bindungen: Selektive Tetramerisierung einesp-Chinodimethans

  摘要：

  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.

  DOI：

  10.1002/(sici)1522-2675(19981007)81:10<1821::aid-hlca1821>3.0.co;2-c
• 作为产物：
  描述：

  3,6-二溴-9-芴酮 在 palladium on activated charcoal 甲醇 、 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 氢气 、 potassium carbonate 、 三乙胺 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 7.5h， 生成 3,6-diethyl-9H-fluoren-9-on
  参考文献：
  名称：

  Selbstorganisation von Molekülen über kovalente Bindungen: Selektive Tetramerisierung einesp-Chinodimethans

  摘要：

  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.

  DOI：

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

文献信息

• Dna minor groove binding compounds
  申请人：Khalaf Abedawn

  公开号：US20070117760A1

  公开（公告）日：2007-05-24

  There is provided an oligopeptide compound comprising: (a) at least one nitrogen-containing basic group attached to at least one end of the oligopeptide; and (b) two or more heterocyclic monomers, at least one of which is substituted in the heterocyclic part by a branched, cyclic or part cyclic C 3-5 alkyl group, or a pharmaceutically acceptable salt or solvate thereof; which compound, salt or solvate binds to the minor groove of DNA.

  提供一种寡肽化合物，包括：（a）至少一个含氮的碱性基团连接到寡肽的至少一个末端；以及（b）两个或更多的杂环单体，其中至少一个在杂环部分被支链、环状或部分环状的C3-5烷基取代，或其药学上可接受的盐或溶剂；该化合物、盐或溶剂与DNA的小沟结合。
• POLYMERIC COMPOUND AND LIGHT-EMITTING ELEMENT MANUFACTURED USING SAME
  申请人：Sumitomo Chemical Company Limited

  公开号：EP2980114A1

  公开（公告）日：2016-02-03

  A polymer compound comprising a constituent unit represented by the formula (1') and a constituent unit having a mono-valent cross-linkable group: [wherein R1' to R4' represent an alkyl group, an alkoxy group, an aryl group, an aryloxy group or a mono-valent heterocyclic group, R5 to R10 represent a hydrogen atom, an alkyl group, an alkoxy group, an aryl group, an aryloxy group or a mono-valent heterocyclic group, RA and RB represent a hydrogen atom, an alkyl group, an aryl group or a mono-valent heterocyclic group, and Ar1 and Ar2 represent an arylene group or a di-valent heterocyclic group.].

  一种聚合物化合物，包含由式（1'）表示的组成单元和具有单价可交联基团的组成单元： [其中 R1'至 R4'代表烷基、烷氧基、芳基、芳氧基或单价杂环基团，R5 至 R10 代表氢原子、烷基、烷氧基、芳基、芳氧基或单价杂环基团、RA 和 RB 代表氢原子、烷基、芳基或单价杂环基团，Ar1 和 Ar2 代表芳烯基团或二价杂环基团。].
• Squarylium dye and composition containing same
  申请人：TOYO INK SC HOLDINGS CO., LTD.

  公开号：US11512204B2

  公开（公告）日：2022-11-29

  A squarylium dye [A] that has high invisibility, i.e., exhibits low absorption in the visible light region (400 nm to 750 nm), has excellent near-infrared absorption capability and high light resistance, tends not to exhibit aggregations, and has specific X-ray diffraction peaks; and an image-forming material and the like containing the squarylium dye [A] having said characteristics. The problem is solved by a squarylium dye [A] having specific X-ray diffraction peaks represented by general formula (1). Moreover, the problem is also solved by various materials containing the squarylium dye [A].

  一种具有高隐蔽性的鳞片染料[A]，即在可见光区（400 nm 至 750 nm）吸收率低，具有优异的近红外吸收能力和高耐光性，不易聚集，并具有特定的 X 射线衍射峰；以及一种含有具有上述特性的鳞片染料[A]的图像形成材料等。具有通式（1）表示的特定 X 射线衍射峰的鳞片染料[A]解决了这一问题。此外，含有鳞片染料[A]的各种材料也解决了这一问题。
• POLYMER COMPOUND AND LIGHT EMITTING DEVICE USING THE SAME
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20160013418A1

  公开（公告）日：2016-01-14

  A polymer compound comprising a constituent unit represented by the formula (1′) and a constituent unit having a mono-valent cross-linkable group: [wherein R 1 ′ to R 4 ′ represent an alkyl group, an alkoxy group, an aryl group, an aryloxy group or a mono-valent heterocyclic group, R 5 to R 10 represent a hydrogen atom, an alkyl group, an alkoxy group, an aryl group, an aryloxy group or a mono-valent heterocyclic group, R A and R B represent a hydrogen atom, an alkyl group, an aryl group or a mono-valent heterocyclic group, and Ar 1 and Ar 2 represent an arylene group or a di-valent heterocyclic group.].
• SQUARYLIUM DYE AND COMPOSITION CONTAINING SAME
  申请人：TOYO INK SC HOLDINGS CO., LTD.

  公开号：US20200115556A1

  公开（公告）日：2020-04-16

  A squarylium dye [A] that has high invisibility, i.e., exhibits low absorption in the visible light region (400 nm to 750 nm), has excellent near-infrared absorption capability and high light resistance, tends not to exhibit aggregations, and has specific X-ray diffraction peaks; and an image-forming material and the like containing the squarylium dye [A] having said characteristics. The problem is solved by a squarylium dye [A] having specific X-ray diffraction peaks represented by general formula (1). Moreover, the problem is also solved by various materials containing the squarylium dye [A].