对-溴代十六烷基苯 | 219640-39-8

• 物质功能分类: 有机原料 - 烃类化合物及其衍生物 - 芳香烃
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 对-溴代十六烷基苯
• 英文名称: 1-bromo-4-hexadecylbenzene
• CAS: 219640-39-8
• 化学式: C₂₂H₃₇Br
• 分子量: 381.44
• InChiKey: UWZYHHMSEIANER-UHFFFAOYSA-N

物化性质

• 熔点：
  31.1-31.9 °C
• 沸点：
  433.7±14.0 °C(Predicted)
• 密度：
  1.032±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  10.7
• 重原子数：
  23
• 可旋转键数：
  15
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  对-溴代十六烷基苯 在 lithium aluminium tetrahydride 、 四丁基氟化铵 、 异丙基氯化镁 、 sodium ethanolate 作用下， 以 四氢呋喃 、 乙醇 、 正庚烷 、 乙腈 为溶剂， 反应 66.0h， 生成 3-oxo-2-(4-hexadecylphenyl)-4-phenylbutanenitrile
  参考文献：
  名称：

  New Insights into the Mechanism of Triplet Radical-Pair Combinations. The Persistent Radical Effect Masks the Distinction between In-Cage and Out-of-Cage Processes

  摘要：

  Steady-state and laser-pulsed irradiations of dibenzyl ketone (ACOB(0)) and derivatives with a p-methyl or a p-hexadecyl chain (ACOB(1) and ACOB(16), respectively) have been conducted in polyethylene films with 0, 46, and 68% crystallinities. Calculation of the fractions of in-cage combinations of the triplet benzylic radical-pair intermediates based on photoproduct yields, F-c, from ACOB(16) are shown to be incorrect as a result of the kinetic consequences of drastically different diffusion coefficients for the benzyl and p-hexadecylbenzyl radicals. Careful analyses of the transient absorption traces, based upon a new model developed here, allow the correct cage effects to be determined even from ACOB(0). The model also permits the rate constants for radical-pair combinations and escape from their cage of origin to be calculated using either an iterative fitting procedure or a very simple one which requires only k(-CO) and the intensities of the transient absorption immediately after the flash and after the in-cage portion of reaction by the benzylic radicals is completed. Values of the rate constant for decarbonylation of the initially formed arylacetyl radicals, k(-CO), have been measured from the rise portions of the laser-flash transient absorption traces. They confirm the assertion from results in liquid alkane media that decarbonylation rates are independent of microviscosity. The data separate components of a reaction from an (in-cage) "cage effect" and an (out-of-cage) "persistent radical effect" that are responsible for formation of AB-type (i.e., decarbonylated) products. The effects here are a consequence of vastly different rates of diffusion for coreacting A center dot and B center dot benzylic radicals rather than segregation of the radicals in different parts of a hetereogeneous environment (which leads to an excess of AA and BB products). Heretofore, observation of exclusive formation of AB products has been attributed to in-cage combinations of geminate radical pairs. We show that not to be the case here and provide methodologies which may be used for testing the importance of the "persistent radical effect" component of reaction.

  DOI：

  10.1021/ja067461q
• 作为产物：
  描述：

  1-(4-bromophenyl)hexadecan-1-one 在 一水合肼 、 potassium hydroxide 作用下， 以 辛醇 为溶剂， 反应 3.0h， 生成 对-溴代十六烷基苯
  参考文献：
  名称：

  Synthesis and Electronic Properties of Semiconducting Polymers Containing Benzodithiophene with Alkyl Phenylethynyl Substituents

  摘要：

  Semiconducting polymers containing benzodithiophene with decyl phenylethynyl and hexadecyl phenylethynyl substituents have been synthesized by Sidle coupling polymerization. The optoelectronic properties of the synthesized polymers have been investigated. The synthesized polymers were tested in bulk heterojunction solar cells.

  DOI：

  10.1021/ma101709h

文献信息

• NOVEL POLYCYCLIC POLYMER COMPRISING THIOPHENE UNITS, A METHOD OF PRODUCING AND USES OF SUCH POLYMER
  申请人：MERCK PATENT GMBH

  公开号：US20160301008A1

  公开（公告）日：2016-10-13

  The present invention relates to a novel polycyclic polymer comprising fused thiophene units. The present invention also relates to a method for producing such polymer as well as the use of such polymer, particularly in organoelectronic applications.

  本发明涉及一种包含融合噻吩单元的新型多环聚合物。本发明还涉及一种生产这种聚合物的方法，以及特别是在有机电子应用中使用这种聚合物的用途。
• Synthesis and Unusual Physical Behavior of a Photorefractive Polymer Containing Tris(bipyridyl)ruthenium(II) Complexes as a Photosensitizer and Exhibiting a Low Glass-Transition Temperature
  作者：Qing Wang、Liming Wang、Luping Yu

  DOI：10.1021/ja9825130

  日期：1998.12.1

  that the PR performance of this polymer was limited by the local internal field formed in response to the external electric field by the alignment of ion pairs around the photocharge generation sites. The effects of such a local field on photocharge generation and photorefractivity were investigated through the analyses of the dependence of photocurrent, photorefractive gain, diffraction efficiency,

  本文报道了一种低 Tg 光折变 (PR) 聚合物的合成和表征，该聚合物含有离子钌配合物作为电荷载流子的光发生器。预计 Ru 配合物的高效光电荷生成、共轭骨架的有效电荷传输以及与低 Tg 材料相关的取向增强的组合将导致 PR 性能的进一步提高。然而，有趣的是发现该聚合物的 PR 性能受到局部内部场的限制，该内部场响应外部电场通过光电荷产生位点周围的离子对排列而形成。通过分析光电流的依赖性，研究了这种局部场对光电荷产生和光折射的影响，光折变增益、衍射效率、电光活性和外加场上的双折射。PR光栅形成的动态行为...
• CONJUGATED POLYMERS
  申请人：Merck Patent GmbH

  公开号：US20150322208A1

  公开（公告）日：2015-11-12

  The invention relates to novel conjugated polymers containing one or more polycyclic repeating units, to methods for their preparation and educts or intermediates used therein, to polymer blends, mixtures and formulations containing them, to the use of the polymers, polymer blends, mixtures and formulations as organic semiconductors in organic electronic (OE) devices, especially in organic photovoltaic (OPV) devices and organic photodetectors (OPD), and to OE, OPV and OPD devices comprising these polymers, polymer blends, mixtures or formulations.

  该发明涉及含有一个或多个多环重复单元的新型共轭聚合物，以及用于它们的制备方法、原料或中间体，包含它们的聚合物混合物、混合物和配方，将这些聚合物、聚合物混合物、混合物和配方作为有机半导体在有机电子(OE)设备中的使用，特别是在有机光伏(OPV)设备和有机光电探测器(OPD)中的使用，以及包含这些聚合物、聚合物混合物、混合物或配方的OE、OPV和OPD设备。
• 공액 중합체
  申请人：MERCK PATENT GMBH 메르크 파텐트 게엠베하(519980656531)

  公开号：KR20150016254A

  公开（公告）日：2015-02-11

  본 발명은 인다세노다이벤조티오펜 또는 다이티아-다이사이클로펜타-다이벤조티오펜으로부터 유도된 하나 이상의 반복 단위를 함유하는 신규한 공액 중합체, 이의 제조 방법 및 이에 사용된 유리체 또는 중간체, 이를 포함하는 중합체 배합물, 혼합물 및 제형, 유기 전자식(OE) 장치, 특히 유기 광전자식(OPV) 장치에서 유기 반도체로서 중합체, 중합체 배합물, 혼합물 및 제형의 용도, 및 이러한 중합체, 중합체 배합물, 혼합물 또는 제형을 포함하는 OE 및 OPV 장치에 관한 것이다.

  本发明涉及一种新型共轭聚合物，其中包含至少一个由인다세노다이벤조티오펜或二티아-다이사이클로펜타-다이벤조티오펜导出的重复单元，以及用于制备该聚合物的方法和所使用的玻璃体或中间体，包括聚合物混合物、混合物和制剂，以及在有机电子(OE)器件中，特别是在有机光电子(OPV)器件中作为有机半导体的聚合物、聚合物混合物、混合物和制剂的用途，以及涉及包含这些聚合物、聚合物混合物、混合物或制剂的OE和OPV器件。
• Organic semiconducting polymers
  申请人：MERCK PATENT GMBH

  公开号：US09620716B2

  公开（公告）日：2017-04-11

  The invention relates to novel organic semiconducting polymers containing one or more monomers derived from s-indacene fused symmetrically on each terminus with dithieno[3,2-b;2′,3′-d]thiophene (IDDTT), cyclopenta[2,1-b;3,4-b′]dithiophene (IDCDT), or derivatives thereof, to methods for their preparation and educts or intermediates used therein, to polymer blends, mixtures and formulations containing them, to the use of the polymers, polymer blends, mixtures and formulations as semiconductors in organic electronic (OE) devices, especially in organic photovoltaic (OPV) devices and organic photodetectors (OPD), and to OE, OPV and OPD devices comprising these polymers, polymer blends, mixtures or formulations.

  该发明涉及一种新型有机半导体聚合物，其中包含一个或多个单体，该单体源自于在每个末端与二噻吩[3,2-b;2′,3′-d]噻吩（IDDTT）、环戊二噻吩[2,1-b;3,4-b′]（IDCDT）或其衍生物对称融合的s-茚芴，涉及其制备方法、所用的底物或中间体、含有它们的聚合物混合物、混合物和配方，以及将这些聚合物、聚合物混合物、混合物和配方用作有机电子（OE）器件中的半导体，特别是在有机光伏（OPV）器件和有机光电探测器（OPD）中，以及包括这些聚合物、聚合物混合物、混合物或配方的OE、OPV和OPD器件。