1,3,5-tris((4-methoxyphenyl)ethynyl)benzene | 118688-57-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 1,3,5-tris((4-methoxyphenyl)ethynyl)benzene
• 英文别名: 1,3,5-Tris[2-(4-methoxyphenyl)ethynyl]benzene
• CAS: 118688-57-6
• 化学式: C₃₃H₂₄O₃
• 分子量: 468.552
• InChiKey: YWHGJGMJAYOZLI-UHFFFAOYSA-N

物化性质

• 沸点：
  675.6±55.0 °C(Predicted)
• 密度：
  1.23±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.9
• 重原子数：
  36
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,7-di-tertbutyl-9-chloro-9-borafluorene 、 1,3,5-tris((4-methoxyphenyl)ethynyl)benzene 在 iron(III) chloride 作用下， 以 1,2-二氯乙烷 、 硝基甲烷 为溶剂， 反应 48.17h， 以54%的产率得到C₉₃H₉₆O₃
  参考文献：
  名称：

  螺旋排列的π刀片可感应各种有机溶剂的手性†

  摘要：

  尽管动态前手性分子的手性富集通常需要与手性源进行强相互作用，但是通过最近开发的硼介导的炔烃苯环化反应获得的螺旋桨状分子的对映体比例在各种有机溶剂中通过溶剂化螺旋桨部分。

  DOI：

  10.1039/c8cc06277c
• 作为产物：
  描述：

  1,3,5-三((三甲基甲硅烷基)乙炔基)苯 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide sodium hydroxide 、 二乙胺 作用下， 以 甲醇 为溶剂， 反应 1.0h， 生成 1,3,5-tris((4-methoxyphenyl)ethynyl)benzene
  参考文献：
  名称：

  Weber, Edwin; Hecker, Manfred; Koepp, Erich, Journal of the Chemical Society. Perkin transactions II, 1988, p. 1251 - 1258

  摘要：

  DOI：

文献信息

• Rigid Molecular Architectures That Comprise a 1,3,5-Trisubstituted Benzene Core and Three Oligoaryleneethynylene Arms:  Light-Emitting Characteristics and π Conjugation between the Arms
  作者：Yoshihiro Yamaguchi、Takanori Ochi、Satoshi Miyamura、Takahiro Tanaka、Shigeya Kobayashi、Tateaki Wakamiya、Yoshio Matsubara、Zen-ichi Yoshida

  DOI：10.1021/ja057751r

  日期：2006.4.1

  In view of increasing interest in light-emitting materials, we have investigated the light-emitting characteristics and occurrence of conjugation between arms of star-shaped rigid molecules that comprise a 1,3,5-triethynylbenzene core and methoxy group-substituted oligo(p-phenylethynylene) arms. Consequently, we achieved the ultimate goal (Phif approximately 1.0, log epsilon > 5) for organic molecules with respect to light-emitting ability by creating very intense violet-blue (8, Phif = 0.97, log epsilon = 5.11) and blue (9, Phif = 0.98, log epsilon = 5.29) bright light-emitters. Also, pi conjugation was found to occur between the arms of 9 despite the meta-substituted system. We found a linear relationship of kr (with positive slope) and kd (with negative slope) with the number of dimethoxyphenyleneethynylene units for MMPT (4, 6, 8) and DMPT (5, 7, 9) homologues and the contrasting solvent effect on lambdaem of 8 and 9. It is also interesting that lambdaabs, epsilon, lambdaem, and Phif of 9 are greater than those of the corresponding banana- and rod-shaped molecules.
• TW2022/4298
  申请人：——

  公开号：——

  公开（公告）日：——
• TW2021/42526
  申请人：——

  公开号：——

  公开（公告）日：——
• AROMATIC UNDERLAYER
  申请人：Rohm and Haas Electronic Materials LLC

  公开号：US20200142309A1

  公开（公告）日：2020-05-07

  Compounds having three or more alkynyl moieties substituted with an aromatic moiety having one or more of certain substituents are useful in forming underlayers useful in semiconductor manufacturing processes.
• COATING COMPOSITIONS AND METHODS OF FORMING ELECTRONIC DEVICES
  申请人：Rohm and Haas Electronic Materials LLC

  公开号：US20210343522A1

  公开（公告）日：2021-11-04

  Coating compositions comprise: a B-staged reaction product of one or more compounds comprising: a core chosen from C 6-50 carbocyclic aromatic, C 2-50 heterocyclic aromatic, C 1-20 aliphatic, C 1-20 heteroaliphatic, C 3-20 cycloaliphatic, and C 2-20 heterocycloaliphatic, each of which may be substituted or unsubstituted; and two or more substituents of formula (1) attached to the core: wherein: Ar 1 is an aromatic group independently chosen from C 6-50 carbocyclic aromatic and C 2-50 heteroaromatic, each of which may be substituted or unsubstituted; Z is a substituent independently chosen from OR 1 , protected hydroxyl, carboxyl, protected carboxyl, SR 1 , protected thiol, —O—C(═O)—C 1-6 alkyl, halogen, and NHR 2 ; wherein each R 1 is independently chosen from H, C 1-10 alkyl, C 2-10 unsaturated hydrocarbyl, and C 5-30 aryl; each R 2 is independently chosen from H, C 1-10 alkyl, C 2-10 unsaturated hydrocarbyl, C 5-30 aryl, C(═O)—R 1 , and S(═O) 2 —R 1 ; x is an integer from 1 to the total number of available aromatic ring atoms in Ar 1 ; and * denotes the point of attachment to the core; provided that when the core comprises an aromatic ring, no substituents of formula (1) are in an ortho position to each other on the same aromatic ring of the core; and one or more solvents, wherein the total solvent content is from 50 to 99 wt % based on the coating composition. Coated substrates formed with the coating compositions and methods of forming electronic devices using the compositions are also provided. The compositions, coated substrates and methods find particular applicability in the manufacture of semiconductor devices.