4,4'-bis(ethynyl)benzophenone | 147613-78-3

• 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: 4,4'-bis(ethynyl)benzophenone
• 英文别名: bis(4-ethynylphenyl)methanone；4,4'-diethynylacetophenone；4,4'-diethynylbenzophenone
• CAS: 147613-78-3
• 化学式: C₁₇H₁₀O
• 分子量: 230.266
• InChiKey: FGMXODQMIWSMQD-UHFFFAOYSA-N

物化性质

• 沸点：
  371.1±27.0 °C(Predicted)
• 密度：
  1.16±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 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：

  二(三苯基膦)环戊二烯基氯化钌(II) 、 4,4'-bis(ethynyl)benzophenone 在 NH₄PF₆ 、 NEt₃ 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 以65%的产率得到bis(4-ethynylphenyl)methanone;cyclopenta-1,3-diene;ruthenium(2+);triphenylphosphane
  参考文献：
  名称：

  Near-Infrared Absorbing Organoruthenium Complexes:  Crystal Violet Analogues

  摘要：

  Replacement of "NR2" substituents in crystal violet (or ethyl violet) by "CpRu(PPh3)(2)(C= C)" results in formation of stable derivatives of triaryl carbocations, {[CpRu(PPh3)(2)(C=CC6H4-4)][Et2NC6H4-4](2)}C+ (3(+)) and {[CpRu(PPh3)(2)(C=CC6H4-4)](2)[Me2NC6H4-4]} (5(+)), and {[CpRu(PPh3)(2)(C=CC6H4-4)](3)}C+ (7(+)). They were isolated as BF4 salts. The stable carbocation {[CpRu(PPh3)(2)(C=C-th((E)-CH=CH)-th)][Et2NC6H4-4](2)}C+ (th = 2,5-substituted thiophene), has also been synthesized. These complexes exhibit intense electronic absorption in the near-infrared region. Incorporation of thiophene rings was shown to enhance both lambda(max) and f values.

  DOI：

  10.1021/om980853o
• 作为产物：
  描述：

  4,4’-bis(2-trimethylsilylethynyl)benzophenone 在 氢氧化钾 作用下， 以 甲醇 、 正己烷 、 乙酸乙酯 为溶剂， 以68%的产率得到4,4'-bis(ethynyl)benzophenone
  参考文献：
  名称：

  Organometallic compounds

  摘要：

  一个由三个芳香基团分别与一个甲基碳阳离子和一个对离子键合而成的化合物；其中三个芳香基团中的每一个可选择地被一个给电子基团取代，三个芳香基团中至少有一个与金属配合物基团键合，可以是直接键合或通过一个连接基团，而甲基碳阳离子、芳香基团、金属配合物基团和连接基团形成一个共轭系统。

  公开号：

  US06140503A1

文献信息

• Carbon‐Rich Ruthenium Complexes Containing Bis(allenylidene) and Mixed Alkynyl−Allenylidene Bridges
  作者：Stéphane Rigaut、Johann Perruchon、Salaheddine Guesmi、Claire Fave、Daniel Touchard、Pierre H. Dixneuf

  DOI：10.1002/ejic.200400457

  日期：2005.2

  Complexes cis-[RuCl(dppe)2][X] (2a X = PF6, 2b X = CF3SO3) react with a variety of bis(propargylic) alcohols to selectively lead to mono-trans-[Cl(dppe)2Ru=C=C=C(R)−T−C(R)(OH)(C≡C−H)][X] (4) [R = H, Ph; T = m,p-(C6H4), 2,5-(thiophene), 5,5′-(2,2′-bithiophene), 5,5′′-(2,2′:5′2′′-terthiophene), −C≡C−] or bis(allenylidene) trans-[Cl(dppe)2Ru=C=C=C(R)−T−(R)C=C=C=RuCl(dppe)2][X]2 (5) complexes. New dimetallic

  配合物顺式-[RuCl(dppe)2][X] (2a X = PF6, 2b X = CF3SO3) 与多种双（炔）醇反应选择性地生成单反式-[Cl(dppe)2Ru=C =C=C(R)−T−C(R)(OH)(C≡C−H)][X] (4) [R = H, Ph; T = m,p-(C6H4), 2,5-(噻吩), 5,5'-(2,2'-联噻吩), 5,5''-(2,2':5'2''- terthiophene), -C≡C-] 或双（亚丙叉基）反式-[Cl(dppe)2Ru=C=C=C(R)-T-(R)C=C=C=RuCl(dppe)2][ X]2 (5) 络合物。新的双金属和三金属配合物含有混合炔基-亚丙叉基桥，反式-[Cl(dppe)2Ru-C≡C-p-(C6H4)-(Ph)C=C=C=RuCl(dppe)2][CF3SO3] ( 12) 和反式-[Cl(dppe)2Ru-C≡C-p
• Composition and synthesis of aggregation-induced emission materials
  申请人：THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY

  公开号：US09929363B2

  公开（公告）日：2018-03-27

  The present subject matter relates to compositions containing and synthesis of fluorescent materials e made from tetraphenylethylene (TPE) derivative compounds exhibiting aggregation induced emission (AIE) properties. Further contemplated herein are applications for TPE derivative compounds such as electroluminescent devices since they have a high efficiency, low turn on voltage, and excellent brightness. Additionally, application of TPE derivatives exhibiting AIE properties in various fields such as OLEDs, fingerprinting and forensic technology, and various other biological and industrial sectors are discussed.

  本主题涉及含有和合成荧光材料的组合物，这些材料是由四苯乙烯（TPE）衍生物化合物制成的，具有聚集诱导发光（AIE）性质。此外，本文还考虑了TPE衍生物化合物的应用，例如电致发光器件，因为它们具有高效率、低开启电压和优异的亮度。此外，还讨论了具有AIE性质的TPE衍生物在各个领域的应用，如OLED、指纹和法医技术，以及其他生物和工业领域。
• Bis-calix[4]arene-based podants using the bridge position as a constructive mode of subunit connection
  作者：Conrad Fischer、Edwin Weber

  DOI：10.1007/s10847-013-0338-6

  日期：2014.6

  Synthetic pathways for a bridge type connection of two calixarenes by a flexible alkylene chain or a more rigid bistriazole modified connection element of different length are presented. NMR measurements as well as MM calculations point to rather flexible conjugates showing suitable requirements for a potential formation of inclusion complexes with neutral and anionic guests of appropriate size.

  本文介绍了通过不同长度的柔性亚烷基链或更刚性的双环三唑修饰连接元件将两个钙钛矿进行桥式连接的合成途径。核磁共振测量和 MM 计算表明，相当柔性的共轭物适合与适当大小的中性和阴离子客体形成包合物。
• Composition for film formation and material for insulating film formation
  申请人：JSR CORPORATION

  公开号：US20020172652A1

  公开（公告）日：2002-11-21

  A composition for film formation capable of forming a coating film excellent in low dielectric constant characteristics, cracking resistance, modulus of elasticity, and adhesion to substrates and useful as an interlayer insulating film material in semiconductor devices, etc. The composition for film formation contains (A) at least one member selected from an aromatic polyarylene and an aromatic poly (arylene ether), (B) a polyvinylsiloxane, and (C) an organic solvent.

  一种用于制备薄膜的组合物，能够形成具有低介电常数特性、抗开裂性、弹性模量和对基底的附着力优异的涂层膜，并可用作半导体器件中的层间绝缘膜材料等。该制膜组合物包含（A）至少一种选自芳香族聚芳烃和芳香族聚（芳烃醚）的成员，（B）聚乙烯基硅氧烷和（C）有机溶剂。
• COMPOSITION AND SYNTHESIS OF AGGREGATION-INDUCED EMISSION MATERIALS
  申请人：THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY

  公开号：US20160211470A1

  公开（公告）日：2016-07-21

  The present subject matter relates to compositions containing and synthesis of fluorescent materials e made from tetraphenylethylene (TPE) derivative compounds exhibiting aggregation induced emission (AIE) properties. Further contemplated herein are applications for TPE derivative compounds such as electroluminescent devices since they have a high efficiency, low turn on voltage, and excellent brightness. Additionally, application of TPE derivatives exhibiting AIE properties in various fields such as OLEDs, fingerprinting and forensic technology, and various other biological and industrial sectors are discussed.

  本主题涉及含有四苯乙烯（TPE）衍生物化合物的荧光材料的组成和合成，这些化合物表现出聚集诱导发光（AIE）性质。此外，还考虑了TPE衍生物化合物的应用，例如电致发光装置，因为它们具有高效率、低开启电压和优异的亮度。此外，还讨论了TPE衍生物化合物在各种领域的应用，例如OLED、指纹和法医技术以及各种其他生物和工业部门。