1-methyl-4-[(pentyloxy)methyl]benzene

• 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-4-[(pentyloxy)methyl]benzene
• 英文别名: (4-Methylphenyl) methanol, n-pentyl ether；1-methyl-4-(pentoxymethyl)benzene
• 化学式: C₁₃H₂₀O
• 分子量: 192.301
• InChiKey: VYWRZFKFPKKOLU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-methyl-4-[(pentyloxy)methyl]benzene 在 bis(acetylacetonate)oxovanadium 、 methyl 3,5-bis((1H-1,2,4-triazol-1-yl)methyl)benzoate 、 氧气 、 sodium acetate 、 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 53.08h， 生成 1-methoxy-4-((pentyloxy)methyl)benzene
  参考文献：
  名称：

  ppm级水平下钒催化的邻苄基醚的氧化脱苄基作用

  摘要：

  已经开发了用于醚的氧化脱苄基作用的有利方法。极少量的基于乙酰丙酮氧钒和三唑型钳位配体的催化剂体系可以在氧气作为唯一氧化剂的情况下选择性氧化裂解许多O-苄基醚。该方法可以耐受许多官能团，例如卤代，烷氧基或三氟甲基芳烃，炔烃，烯烃，醚和乙缩醛单元。也可以通过优化程序进行大规模脱保护，这也适用于对映体富集的反应物。

  DOI：

  10.1002/adsc.201600593
• 作为产物：
  描述：

  1-methoxy-4-((pentyloxy)methyl)benzene 在 bis(acetylacetonate)oxovanadium 、 methyl 3,5-bis((1H-1,2,4-triazol-1-yl)methyl)benzoate 、 氧气 、 sodium acetate 、 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 53.08h， 生成 1-methyl-4-[(pentyloxy)methyl]benzene
  参考文献：
  名称：

  ppm级水平下钒催化的邻苄基醚的氧化脱苄基作用

  摘要：

  已经开发了用于醚的氧化脱苄基作用的有利方法。极少量的基于乙酰丙酮氧钒和三唑型钳位配体的催化剂体系可以在氧气作为唯一氧化剂的情况下选择性氧化裂解许多O-苄基醚。该方法可以耐受许多官能团，例如卤代，烷氧基或三氟甲基芳烃，炔烃，烯烃，醚和乙缩醛单元。也可以通过优化程序进行大规模脱保护，这也适用于对映体富集的反应物。

  DOI：

  10.1002/adsc.201600593

文献信息

• POLYCYCLIC AROMATIC COMPOUND AND LIGHT EMISSION LAYER-FORMING COMPOSITION
  申请人：Kwansei Gakuin Educational Foundation

  公开号：US20180094000A1

  公开（公告）日：2018-04-05

  The objective of the invention is to provide a polycyclic aromatic compound in which solubility to a solvent, film formability, wet coatability, thermal stability, and in-plane orientation are improved. This objective is achieved by a light emission layer-forming composition comprising: as a first component, at least one type of dopant material selected from the group consisting of polycyclic aromatic compounds represented by general formula (A) and polycyclic aromatic oligomer compounds including a plurality of structures represented by general formula (A); as a second component, a specific low-molecular-weight host material; and, as a third component, at least one type of organic solvent. In formula (A), ring A, ring B, and ring C each independently represent an aryl ring or a hetero aryl ring, Y 1 is B, and X 1 and X 2 each independently represent O or N—R wherein at least one of X 1 and X 2 is N—R.

  该发明的目的是提供一种多环芳香化合物，其溶解性、膜形成性、湿涂性、热稳定性和平面取向性得到改善。通过包括以下组分的发光层形成组合物实现这一目标：作为第一组分，至少一种从一般式（A）表示的多环芳香化合物和包括多个从一般式（A）表示的结构的多环芳香寡聚物化合物中选择的掺杂材料；作为第二组分，特定的低分子量载体材料；作为第三组分，至少一种有机溶剂。在式（A）中，环A、环B和环C分别独立表示芳基环或杂环芳基环，Y1是B，X1和X2分别独立表示O或N—R，其中X1和X2中至少一个是N—R。
• POLYCYCLIC AROMATIC COMPOUND
  申请人：Kwansei Gakuin Educational Foundation

  公开号：US20200190115A1

  公开（公告）日：2020-06-18

  The present invention provides a novel polycyclic aromatic compound having a plurality of aromatic rings linked by a boron atom, a nitrogen atom, and the like, and thus increases the number of alternatives of a material for an organic electroluminescent (EL) device. Furthermore, the present invention provides an excellent organic EL device by using a novel polycyclic aromatic compound as a material for an organic EL device.

  本发明提供了一种新型多环芳香化合物，其中多个芳香环由硼原子、氮原子等连接，从而增加了有机电致发光（EL）器件材料的选择。此外，本发明通过使用新型多环芳香化合物作为有机EL器件的材料，提供了优秀的有机EL器件。
• CYCLOALKANE-CONDENSED POLYCYCLIC AROMATIC COMPOUND
  申请人：Kwansei Gakuin Educational Foundation

  公开号：EP3960744A1

  公开（公告）日：2022-03-02

  According to the present invention, options for materials for organic devices such as materials for organic EL elements are increased by addition of a cycloalkane, by condensation, to a polycyclic aromatic compound in which a plurality of aromatic rings are linked together by boron atoms, oxygen atoms, and the like. By using a novel cycloalkane-condensed polycyclic aromatic compound as a material for an organic EL element, for example, an organic EL element having excellent emission efficiency and element life is provided.

  根据本发明，在多个芳香环通过硼原子、氧原子等连接在一起的多环芳香化合物中，通过缩合加入环烷，增加了有机器件材料（如有机电致发光元件材料）的选择。例如，使用新型环烷缩合多环芳烃化合物作为有机电致发光元件的材料，可提供具有出色发射效率和元件寿命的有机电致发光元件。
• Polycyclic aromatic compound and light emitting layer-forming composition
  申请人：Kwansei Gakuin Educational Foundation

  公开号：US10680186B2

  公开（公告）日：2020-06-09

  The present invention addresses the problem of providing a polycyclic aromatic compound which has improved solubility in solvents, film formability, wet coatability and in-plane orientation. The above-described problem is solved by a composition for forming a light emitting layer, which contains, as a first component, at least one compound selected from the group consisting of compounds represented by general formula (A-1) and compounds represented by general formula (A-2), as a second component, at least one compound that has a triplet energy (ET) of 1.8-3.0 eV, and as a third component, at least one organic solvent. In the formulae, R represents a hydrogen atom, an aryl group, a heteroaryl group, a diarylamino group, a diheteroarylamino group or an aryl heteroarylamino group.

  本发明要解决的问题是提供一种多环芳香族化合物，它在溶剂中的溶解性、成膜性、湿涂层性和面内取向性都有所改善。本发明通过一种用于形成发光层的组合物来解决上述问题，该组合物作为第一组分，含有至少一种从通式（A-1）和通式（A-2）所代表的化合物组成的组中选出的化合物；作为第二组分，含有至少一种三重能（ET）为 1.8-3.0 eV 的化合物；作为第三组分，含有至少一种有机溶剂。 式中，R 代表氢原子、芳基、杂芳基、二芳基氨基、二杂芳基氨基或芳基杂芳基氨基。
• Polycyclic aromatic compound and light emission layer-forming composition
  申请人：Kwansei Gakuin Educational Foundation

  公开号：US10689402B2

  公开（公告）日：2020-06-23

  The objective of the invention is to provide a polycyclic aromatic compound in which solubility to a solvent, film formability, wet coatability, thermal stability, and in-plane orientation are improved. This objective is achieved by a light emission layer-forming composition comprising: as a first component, at least one type of dopant material selected from the group consisting of polycyclic aromatic compounds represented by general formula (A) and polycyclic aromatic oligomer compounds including a plurality of structures represented by general formula (A); as a second component, a specific low-molecular-weight host material; and, as a third component, at least one type of organic solvent. In formula (A), ring A, ring B, and ring C each independently represent an aryl ring or a hetero aryl ring, Y1 is B, and X1 and X2 each independently represent O or N—R wherein at least one of X1 and X2 is N—R.

  本发明的目的是提供一种多环芳烃化合物，该化合物对溶剂的溶解性、成膜性、湿涂层性、热稳定性和平面内取向性均得到改善。本发明的目的是通过一种光发射层形成组合物来实现的，该组合物包括：作为第一组分，从通式（A）表示的多环芳烃化合物和包括通式（A）表示的多种结构的多环芳烃低聚物化合物组成的组中选出的至少一种掺杂剂材料；作为第二组分，特定的低分子量主材料；以及作为第三组分，至少一种有机溶剂。在式（A）中，环 A、环 B 和环 C 各自独立地代表芳基环或杂芳基环，Y1 是 B，X1 和 X2 各自独立地代表 O 或 N-R，其中 X1 和 X2 中至少有一个是 N-R。