3-[1,1';4',1'']terphenyl-4''-ylpropan-1-ol | 157126-77-7

• 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: 3-[1,1';4',1'']terphenyl-4''-ylpropan-1-ol
• 英文别名: [1,1:4',1"-Terphenyl]-4-propanol；3-[4-(4-Phenylphenyl)phenyl]propan-1-ol
• CAS: 157126-77-7
• 化学式: C₂₁H₂₀O
• 分子量: 288.389
• InChiKey: UUOLSKLRZGNAGX-UHFFFAOYSA-N

物化性质

• 熔点：
  214-215 °C(Solv: benzene (71-43-2); hexane (110-54-3))
• 沸点：
  490.9±24.0 °C(Predicted)
• 密度：
  1.080±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-[1,1';4',1'']terphenyl-4''-ylpropan-1-ol 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 9.0h， 生成 thioacetic acid S-(3-[1.1';4'.1'']terphenyl-4-ylpropyl) ester
  参考文献：
  名称：

  Structural Effects on Electrical Conduction of Conjugated Molecules Studied by Scanning Tunneling Microscopy

  摘要：

  We have studied electrical conduction of conjugated molecules with phenyl rings embedded into alkanethiol self-assembled monolayers (SAMs), to investigate the molecular structural effect on the electrical conduction. Scanning tunneling microscope (STM) images of this surface revealed that the conjugated molecules with phenyl rings adsorbed mainly on defects and domain boundaries of the pre-assembled alkanethiol (nonanethiol C9) SAM and formed conjugated domains. in the case of conjugated molecules with one or three methylene groups between the sulfur and phenyl rings, the measured height of the conjugated molecular domains depended on their lateral sizes, while a strong dependence was not observed in the case of conjugated molecules without a methylene group. By analyzing size dependence on the height of the conjugated molecular domain, we could evaluate the electronic conductivity of the molecular domains. As a result of the analysis, to increase the vertical conduction of the molecular domains, one methylene group was found to be necessary between the sulfur and aromatic phenyl rings. Local barrier heights on the conjugated molecular domains in all the cases were larger than on the C9 SAM surface, suggesting that the increase in the vertical conductivitity is not likely to be due to the lowering of the local barrier height, but can be attributed to the conjugated molecular adsorption. X-ray photoelectron spectra (XPS) and ultraviolet Light photoelectron spectra (UPS) revealed that the carrier density among conjugated molecular SAR;Is does not depend on the number of methylene groups between the sulfur and phenyl rings, suggesting that the higher vertical conduction of conjugated molecules with one methylene group can probably be attributed to higher transfer probability of carriers during the STM measurements.

  DOI：

  10.1021/jp0018450
• 作为产物：
  描述：

  1-碘-4-(4-苯基苯基)苯 在 哌啶 、 palladium on activated charcoal bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 氢气 、 三苯基膦 作用下， 以 甲醇 、 苯 为溶剂， 反应 0.25h， 生成 3-[1,1';4',1'']terphenyl-4''-ylpropan-1-ol
  参考文献：
  名称：

  来自自旋三元组的光学检测 ESR 和低磁场信号：X 辐照烷烃液体中的 2-Imidazoline-1-Oxyl 衍生物作为研究三自旋系统的方法

  摘要：

  该贡献报告了一系列自旋标记的电荷受体的设计和合成，以在 X 辐照的烷烃液体中产生“自由基离子/双自由基离子”类型的三自旋系统。这为在实验条件下研究自旋三元组开辟了道路，其中传统上研究了短寿命的自由基离子对，从而提供了光学检测技术，如磁谐振 OD ESR 和水平交叉 MARY 光谱。合成的2-咪唑啉-1-氧基衍生物的结构为A-Sp-R，其中A为正或负电荷受体，R为稳定自由基，Sp为烃桥。这组 20 多种化合物代表了构建具有各种特性的实验性三自旋系统的便捷工具，例如具有“第三” 自旋引入自由基离子对的一个或另一个伙伴。双自由基离子中两个顺磁性碎片之间的交换耦合程度已被证明强烈依赖于自由基碎片 R 的类型和桥 Sp 的结构。结果，合成了一系列交换相互作用系统性降低的受体，并找到了观察低磁场效应的最佳系统。在最有利的情况下，来自自旋黑社会的 OD ESR 信号短至约。100 ns 已被注册为单个未解析的行。根据

  DOI：

  10.1021/ja037157m

文献信息

• Alpha-phosphorous substituted sulfonate derivatives as squalene synthetase inhibitors
  申请人：E.R. Squibb & Sons, Inc.

  公开号：EP0595635A1

  公开（公告）日：1994-05-04

  α-Phosphonosulfonate compounds are provided which inhibit the enzyme squalene synthetase and thereby inhibit cholesterol biosynthesis. These comounds have the formula wherein R² is OR⁵ or R5a; R³ and R⁵ are independently H, alkyl, arylalkyl, aryl or cycloalkyl; R5a is H, alkyl, arylalkyl or aryl; R4 is H, alkyl, aryl, arylalkyl, or cycloalkyl;, Z is H, halogen, lower alkyl or lower alkenyl; and R¹ is a lipophilic group which contains at least 7 carbons and is alkyl, alkenyl, alkynyl, mixed alkenyl-alkynyl, aryl, arylalkyl, cycloalkyl, cycloalkylalkyl, heteroaryl, heteroarylalkyl, cycloheteroalkyl, cycloheteroalkylalkyl; as further defined above; including pharmaceutically acceptable salts and or prodrug esters of the phosphonic (phosphinic) and/or sulfonic acids.

  提供了α-磷酸磺酸酯化合物，可抑制齿烷合酶酶并从而抑制胆固醇生物合成。这些化合物的化学式为：其中R²是OR⁵或R5a; R³和R⁵独立地为H，烷基，芳基烷基，芳基或环烷基; R5a为H，烷基，芳基烷基或芳基; R4为H，烷基，芳基，芳基烷基或环烷基; Z为H，卤素，低烷基或低烯基; R¹为至少含有7个碳的疏水基团，为烷基，烯基，炔基，混合烯基-炔基，芳基，芳基烷基，环烷基，环烷基烷基，杂环芳基，杂环芳基烷基，环杂芳基烷基，环杂芳基烷基烷基; 包括磷酸（磷酸酯）和/或磺酸的药物可接受盐和/或前药酯。
• US5470845A
  申请人：——

  公开号：US5470845A

  公开（公告）日：1995-11-28
• US5567841A
  申请人：——

  公开号：US5567841A

  公开（公告）日：1996-10-22
• US5712396A
  申请人：——

  公开号：US5712396A

  公开（公告）日：1998-01-27
• Structural Effects on Electrical Conduction of Conjugated Molecules Studied by Scanning Tunneling Microscopy
  作者：Takao Ishida、Wataru Mizutani、Nami Choi、Uichi Akiba、Masamichi Fujihira、Hiroshi Tokumoto

  DOI：10.1021/jp0018450

  日期：2000.12.1

  We have studied electrical conduction of conjugated molecules with phenyl rings embedded into alkanethiol self-assembled monolayers (SAMs), to investigate the molecular structural effect on the electrical conduction. Scanning tunneling microscope (STM) images of this surface revealed that the conjugated molecules with phenyl rings adsorbed mainly on defects and domain boundaries of the pre-assembled alkanethiol (nonanethiol C9) SAM and formed conjugated domains. in the case of conjugated molecules with one or three methylene groups between the sulfur and phenyl rings, the measured height of the conjugated molecular domains depended on their lateral sizes, while a strong dependence was not observed in the case of conjugated molecules without a methylene group. By analyzing size dependence on the height of the conjugated molecular domain, we could evaluate the electronic conductivity of the molecular domains. As a result of the analysis, to increase the vertical conduction of the molecular domains, one methylene group was found to be necessary between the sulfur and aromatic phenyl rings. Local barrier heights on the conjugated molecular domains in all the cases were larger than on the C9 SAM surface, suggesting that the increase in the vertical conductivitity is not likely to be due to the lowering of the local barrier height, but can be attributed to the conjugated molecular adsorption. X-ray photoelectron spectra (XPS) and ultraviolet Light photoelectron spectra (UPS) revealed that the carrier density among conjugated molecular SAR;Is does not depend on the number of methylene groups between the sulfur and phenyl rings, suggesting that the higher vertical conduction of conjugated molecules with one methylene group can probably be attributed to higher transfer probability of carriers during the STM measurements.