4-(4-tert-butylstyryl)benzaldehyde | 872466-58-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 4-(4-tert-butylstyryl)benzaldehyde
• 英文别名: (E)-4-formyl-4'-tert-butylstilbene；(E)-4-(4-(tert-butyl)styryl)benzaldehyde；4-[(E)-2-(4-tert-butylphenyl)ethenyl]benzaldehyde
• CAS: 872466-58-5
• 化学式: C₁₉H₂₀O
• 分子量: 264.367
• InChiKey: BEUHPTBXAVMGBB-SNAWJCMRSA-N

物化性质

• 沸点：
  395.5±27.0 °C(Predicted)
• 密度：
  1.053±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 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：

  4-(4-tert-butylstyryl)benzaldehyde 在 sodium hydride 、 sodium hydroxide 作用下， 以 水 、 二甲基亚砜 为溶剂， 反应 6.0h， 生成
  参考文献：
  名称：

  涉及CF键断裂和形成的环丙基取代的氟环氧化物的发散重排

  摘要：

  据报道，环丙基取代的氟环氧化物发生了前所未有的发散重排。在催化量的苯甲酸存在下，环丙基取代的氟环氧化物有效地经历了1,5-氟的迁移。然而，当将氟环氧化物与K 2 CO 3在60°C下加热时，会发生1,2-氟迁移。据信1，5-氟迁移通过碳正离子中间体进行，而1，2-氟迁移可能涉及紧密的离子对中间体或通过协同过程进行。

  DOI：

  10.1021/ol403644n
• 作为产物：
  描述：

  对叔丁基氯苄 在 盐酸 、 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 反应 33.0h， 生成 4-(4-tert-butylstyryl)benzaldehyde
  参考文献：
  名称：

  Molecular aggregations and supramolecular architectures of amphiphilic PEO17–OPV3 and its hybrid with silica

  摘要：

  描述了一种特意设计的两亲性PEO17–OPV3分子（及其与硅酸盐的混合物）的合成、发光特性和自组装，以形成环状盘。合成首先通过Wittig-Horner反应形成共平面π-共轭PPV寡聚体片段，然后通过磺酸根与PEO17连接，这导致在疏水段和亲水段之间产生扭曲。由于其两亲特性，其光致发光行为受溶剂种类和浓度的显著影响。将PEO17–OPV3分子与合适的共溶剂共同沉积在云母表面，能够形成直径约30纳米的环状超分子结构，经过原子力显微镜（AFM）观察到。环的封闭边缘区域的宽度与PEO17–OPV3分子的长度在同一个数量级上。还观察到了PEO17–OPV3与硅酸盐混合形成直径约150纳米、厚度约0.65纳米的环状盘状结构。后者的厚度大致等于杆状片段的宽度，这意味着π–π堆积主宰了PEO17–OPV3分子与硅酸盐共同组织中的自组装过程，而分子的扭曲则引导环的形成。因此，提出了一种多层相转变机制，用于形成这种超分子结构。

  DOI：

  10.1039/b503393d

文献信息

• Intervalence Transitions in the Mixed-Valence Monocations of Bis(triarylamines) Linked with Vinylene and Phenylene−Vinylene Bridges
  作者：Stephen Barlow、Chad Risko、Sung-Jae Chung、Neil M. Tucker、Veaceslav Coropceanu、Simon C. Jones、Zerubba Levi、Jean-Luc Brédas、Seth R. Marder

  DOI：10.1021/ja054136e

  日期：2005.12.1

  hexachloroantimonate. The intervalence charge-transfer (IVCT) band of 1(+) is narrow and asymmetric and exhibits only weak solvatochromism. Analysis of this band indicates that 1(+) is a class-III or class-II/III borderline mixed-valence species. In contrast, a broad, strongly solvatochromic IVCT band is observed for 2(+), indicating that this species is a class-II mixed-valence species. The assignment

  (E)-4,4'-双[双(4-甲氧基苯基)氨基]二苯乙烯，1，(E,E)-1,4-双[4-[双(4-甲氧基苯基)氨基]苯乙烯基]苯， 2，和两个更长的同系物，(E,E,E)-4,4'-双[4-[双(4-甲氧基苯基)氨基]苯乙烯基]二苯乙烯，3和(E,E,E,E)- 1,4-双(4-[4-[双(4-甲氧基苯基)氨基]苯乙烯基]苯乙烯基)苯, 4, 已被三(4-溴苯基) 六氯锑酸盐氧化成单和二价。1(+) 的间隔电荷转移 (IVCT) 带窄且不对称，仅表现出微弱的溶剂化变色。对该条带的分析表明 1(+) 是 III 类或 II/III 类临界混合价物种。相比之下，对于 2(+) 观察到一个宽的、强溶剂化变色的 IVCT 带，表明该物种是 II 类混合价物种。将 1(+) 和 2(+) 指定为对称的 III 类和不对称的 II 类物种，AM1 计算也支持。1(+) 和 2(+) 的 IVCT 带的静寂分析给出了更大的电子耦合
• Supramolecular structures and method for forming the same
  申请人：Lin King-Fu

  公开号：US20070120113A1

  公开（公告）日：2007-05-31

  A primary supramolecular structure is described. The primary supramolecular structure has a shape of ring-like disk. The shape of ring-like disk has a diameter of about 10 nanometers to about 60 nanometers. The mentioned primary supramolecular structure is formed by self-assembly of amphiphilic conjugate molecules. Moreover, a secondary supramolecular structure is described. The secondary supramolecular structure has a shape of ring-like disk. The shape of ring-like disk has a diameter of about 100 nanometers to about 300 nanometers. The mentioned secondary supramolecular structure is formed by self-assembly of amphiphilic conjugate molecules hybrid with metal alkoxides or non-metal alkoxides.

  描述了一种主要的超分子结构。该主要的超分子结构呈环状盘状。环状盘状的形状直径约为10纳米至60纳米。所述的主要超分子结构是由两性共轭分子的自组装形成的。此外，还描述了一种次要的超分子结构。该次要的超分子结构呈环状盘状。环状盘状的形状直径约为100纳米至300纳米。所述的次要超分子结构是由与金属烷氧基或非金属烷氧基杂化的两性共轭分子的自组装形成的。
• LIQUID CRYSTALLINE STYRYL DERIVATIVE, PROCESS OF PREPARING SAME, AND LIQUID CRYSTAL SEMICONDUCTOR DEVICE USING SAME
  申请人：Haramoto Yuichiro

  公开号：US20090124838A1

  公开（公告）日：2009-05-14

  A liquid crystalline styryl derivative represented by general formula (1): wherein R 1 and R 2 , which may be the same or different, each represent a straight-chain or branched alkyl group, a straight-chain or branched alkoxy group, a cyano group, a nitro group, F, —C(O)O(CH 2 ) m —CH 3 , —C(O)—(CH 2 ) m —CH 3 , or general formula (2); wherein R 3 represents a hydrogen atom or a methyl group; B represents —(CH 2 ) m —, —(CH 2 ) m —O—, —CO—O—(CH 2 ) m —, —CO—O—(CH 2 ) m —O—, —C 6 H 4 —CH 2 —O— or —CO—; and m represents an integer of 1 to 18. R 1 and R 2 , which may be the same or different, each preferably represent a branched alkyl or alkoxy group represented by CH 3 —(CH 2 ) x —CH(CH 3 )—(CH 2 ) y —CH 2 — or CH 3 —(CH 2 ) x —CH(CH 3 )—(CH 2 ) y —CH 2 —O—, respectively, wherein x is an integer of 0 to 7, and y is an integer of 0 to 7. The styryl derivative is suitable for use as an organic semiconductor material.

  一种通式（1）所表示的液晶基苯乙烯衍生物，其中R1和R2，可以相同也可以不同，分别表示直链或支链烷基、直链或支链烷氧基、氰基、硝基、F、—C（O）O（CH2）m—CH3、—C（O）—（CH2）m—CH3或通式（2）；其中R3表示氢原子或甲基基团；B表示—（CH2）m—、—（CH2）m—O—、—CO—O—（CH2）m—、—CO—O—（CH2）m—O—、—C6H4—CH2—O—或—CO—；m表示1到18的整数。R1和R2，可以相同也可以不同，最好分别表示为CH3—（CH2）x—CH（CH3）—（CH2）y—CH2—或CH3—（CH2）x—CH（CH3）—（CH2）y—CH2—O—所表示的支链烷基或烷氧基，其中x是0到7的整数，y是0到7的整数。该基苯乙烯衍生物适用于作为有机半导体材料。
• Size controlled synthesis of Pd nanoparticles in water and their catalytic application in C–C coupling reactions
  作者：Sudeshna Sawoo、Dipankar Srimani、Piyali Dutta、Rima Lahiri、Amitabha Sarkar

  DOI：10.1016/j.tet.2009.03.062

  日期：2009.5

  Catalytically active Pd nanoparticles have been synthesized in water by a novel reduction of Pd(II) with a Fischer carbene complex where polyethylene glycol (PEG) was used as stabilizer. PEG molecules wrap around the nanoparticles to impart stability and prevent agglomeration, yet leave enough surface area available on the nanoparticle for catalytic activity. Our method is superior to others in terms of rapid generation and stabilization of Pd nanoparticles in water with a cheap, readily available PEG stabilizer. The size of the nanoparticles generated can be controlled by the concentration of PEG in water medium. The size decreased with the increase in the PEG: Pd ratio. This aqueous nano-sized I'd is a highly efficient catalyst for Suzuki, Heck, Sonogashira, and Stille reaction. Water is Used as the only solvent for the coupling reactions. (C) 2009 Elsevier Ltd. All rights reserved.
• Molecular aggregations and supramolecular architectures of amphiphilic PEO17–OPV3 and its hybrid with silica
  作者：Chi-Chun Hsieh、King-Fu Lin

  DOI：10.1039/b503393d

  日期：——

  The synthesis, luminescence properties and self-assembly of a specifically-designed amphiphilic PEO17–OPV3 molecule (and its hybrid with silicates) to form ring-like disks are described. The synthesis was begun with the Wittig–Horner reaction to form a co-planar π-conjugated PPV oligomer segment, followed by linking with PEO17 through a sulfonate group that causes a twist in the molecule between the hydrophobic and hydrophilic segments. Due to its amphiphilic nature, its photoluminescence behavior is greatly affected by the solvent type and concentration. The deposition of PEO17–OPV3 molecules on mica with a proper co-solvent was able to form a ring-like supramolecular architecture of ca. 30 nm in diameter as observed by atomic force microscopy (AFM). The width of the enclosed peripheral area on both sides of the ring is on the same order of magnitude as the length of the PEO17–OPV3 molecule. The self-assembly of a PEO17–OPV3 hybrid with silica to form a ring-like disk of ca. 150 nm diameter and ca. 0.65 nm thickness was also observed. The latter is roughly equal to the width of rod segment, implying that π–π stacking governs the self-assembly process in the co-organization between PEO17–OPV3 molecules and silicates, whereas the twist in molecules orients the ring formation. As a result, a multi-lamellar phase transformation mechanism is proposed for the formation of such a supramolecular architecture.

  描述了一种特意设计的两亲性PEO17–OPV3分子（及其与硅酸盐的混合物）的合成、发光特性和自组装，以形成环状盘。合成首先通过Wittig-Horner反应形成共平面π-共轭PPV寡聚体片段，然后通过磺酸根与PEO17连接，这导致在疏水段和亲水段之间产生扭曲。由于其两亲特性，其光致发光行为受溶剂种类和浓度的显著影响。将PEO17–OPV3分子与合适的共溶剂共同沉积在云母表面，能够形成直径约30纳米的环状超分子结构，经过原子力显微镜（AFM）观察到。环的封闭边缘区域的宽度与PEO17–OPV3分子的长度在同一个数量级上。还观察到了PEO17–OPV3与硅酸盐混合形成直径约150纳米、厚度约0.65纳米的环状盘状结构。后者的厚度大致等于杆状片段的宽度，这意味着π–π堆积主宰了PEO17–OPV3分子与硅酸盐共同组织中的自组装过程，而分子的扭曲则引导环的形成。因此，提出了一种多层相转变机制，用于形成这种超分子结构。