3-乙基-1-庚炔 | 55944-43-9

• 分子结构分类: 有机化合物 - 乙炔化物
• 中文名称: 3-乙基-1-庚炔
• 英文名称: 3-ethyl-1-heptyne
• 英文别名: 3-ethylhept-1-yne；3-ethyl-hept-1-yne；3-Aethyl-1-heptin；3-Butylpent-1-in；3-Ethylhept-1-in；1-Heptyne, 3-ethyl-
• CAS: 55944-43-9
• 化学式: C₉H₁₆
• 分子量: 124.226
• InChiKey: ZSFABVOIAIIPSQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 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：

  3-乙基-1-庚炔 在 palladium on activated charcoal 正丁基锂 、 氢气 、 氯化二乙基铝 作用下， 以 乙醇 、 甲苯 为溶剂， 生成 (1R)-5-ethyl-1-[(2R,5R)-5-[(2R,5R)-5-[(1R)-5-ethyl-1-hydroxynonyl]oxolan-2-yl]oxolan-2-yl]nonan-1-ol
  参考文献：
  名称：

  Function of the alkyl side chains of Δlac-acetogenins in the inhibitory effect on mitochondrial complex I (NADH-ubiquinone oxidoreductase)

  摘要：

  We synthesized a series of Alac-acetogenins in which the two alkyl side chains were systematically modified, and examined their inhibitory effect on bovine heart mitochondrial complex I (NADH-ubiquinone oxidoreductase). The results revealed that the physicochemical properties of the side chains, such as the balance of hydrophobicity and the width (or bulkiness) of the chains, are important structural factors for a potent inhibitory effect of amphiphilic Alac-acetogenins. This is probably because such properties decide the precise location of the hydrophilic bis-THF ring moiety in the enzyme embedded in the inner mitochondrial membrane. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.03.082
• 作为产物：
  描述：

  1,1-二溴-2-(1-乙基戊基)-乙烯 在 正丁基锂 、 水 作用下， 以 乙醚 、 正己烷 为溶剂， 反应 1.5h， 以56%的产率得到3-乙基-1-庚炔
  参考文献：
  名称：

  [EN] CONJUGATED POLYMERS
  [FR] POLYMÈRES CONJUGUÉS

  摘要：

  该发明涉及含有一个或多个苯并[1,2-b:4,5-b']二噻吩-4,8-二酮重复单元的新型聚合物，其制备方法和用于其中的单体，含有它们的混合物、配方和混合物，聚合物、混合物、配方在有机电子（OE）器件中作为半导体的用途，特别是在有机光伏（OPV）器件中，以及包含这些聚合物、混合物或配方的OE和OPV器件。

  公开号：

  WO2012156022A1

文献信息

• Benzodithiophene and Imide-Based Copolymers for Photovoltaic Applications
  作者：Wade A. Braunecker、Zbyslaw R. Owczarczyk、Andres Garcia、Nikos Kopidakis、Ross E. Larsen、Scott R. Hammond、David S. Ginley、Dana C. Olson

  DOI：10.1021/cm2038427

  日期：2012.4.10

  Conjugated alternating copolymers were designed with low optical band gaps for organic photovoltaic (OPV) applications by considering quinoid resonance stabilization. Copolymers of thienoisoindoledione (TID) and benzodithiophene (BDT) had appreciably lower band gaps (by ∼0.4 eV) than copolymers of thienopyrroledione (TPD) and BDT. In addition to intramolecular charge transfer stabilization (i.e., the

  考虑到醌型共振稳定性，共轭交替共聚物的光学带隙低，设计用于有机光伏（OPV）应用。噻吩异吲哚二酮（TID）和苯并二噻吩（BDT）的共聚物的带隙（约0.4eV）比噻吩并吡咯二酮（TPD）和BDT的共聚物低得多。除了分子内电荷转移稳定化（即“推挽”效应）外，前者共聚物的醌型共振结构还通过增加异吲哚单元中的芳香族共振能而得以稳定。另外，可以通过对BDT单体进行化学修饰来调节共聚物的HOMO含量，从而在光伏器件中产生大于1 V的开路电压。尽管优化了带隙，但含TID的聚合物仍显示出较低的光电导性，由时间分辨的微波电导率确定，与TPD类似物相比，器件效率降低（2.1％对4.8％）。这些结果部分归因于形态，因为计算模型表明TID共聚物具有扭曲的主链，并且X射线衍射数据表明聚合物膜未形成有序域，而TPD共聚物的平面性明显更高，并显示出形成了部分有序域。 。
• Reactions of 3-alkyl- and 3,3-dialkyl-1-bromoallenes with organocuprates: Effects of the nature of the cuprate reagent on the regio- and stereoselectivity
  作者：Anna Maria Caporusso、Carmela Polizzi、Luciano Lardicci

  DOI：10.1016/s0040-4039(00)96867-9

  日期：1987.1

  Organocuprates induce 1,3- and direct substitution in 3-alkyl- and 3,3-dialkyl-1-bromo-1,2-dienes leading respectively to either terminal acetylenes or allenic hydrocarbons. The nature of the cuprate exerts a prominent role in determining both the regio- and the stereochemistry of these reactions.

  有机酸盐诱导3-烷基-和3,3-二烷基-1-溴-1,2-二烯中的1,3-和直接取代，分别导致末端乙炔或烯丙烃。铜酸盐的性质在确定这些反应的区域化学和立体化学中起着重要作用。
• Reaction of 1-bromo-1,2-dienes with alkylcuprates as a regio- and stereo-selective route to acetylenic or allenic compounds
  作者：Carmela Polizzi、Carla Consoloni、Luciano Lardicci、Anna Maria Caporusso

  DOI：10.1016/0022-328x(91)80179-n

  日期：1991.10

  Alkylcuprates react with 1-bromo-1,2-dienes to give allenic and/or acetylenic products. The selectivity of the crosscoupling is markedly dependent on the nature of the copper reagent, which plays a prominent role in determining both the regio- and the stereo-chemistry. The preparative aspects of these copper-induced reactions are discussed and their possible mechanism discussed.

  烷基杯酸酯与1-溴-1,2-二烯反应生成烯丙基和/或炔属产物。交叉偶联的选择性显着取决于铜试剂的性质，铜试剂在决定区域化学和立体化学方面都起着重要的作用。讨论了这些铜诱导的反应的制备方面，并讨论了其可能的机理。
• A new reaction of 1-bromoalk-1-ynes; synthesis of 3-alkylalk-1-ynes from terminal acetylenes
  作者：Augustus J. Quillinan、Ejaz A. Khan、Feodor Scheinmann

  DOI：10.1039/c39740001030

  日期：——

  The reaction of 1-bromoalk-1-ynes with two equivalents of butyl-lithium in hexane gives 3-butylalk-1-ynes; the reactive intermediate is a dilithioalkyne which can also be directly prepared from terminal acetylenes, and selective reaction with alkyl halides in hexane occurs at the propargylic site to provide a general synthesis of 3-alkylalk-1-ynes.

  1-溴代烷基-1-炔与两当量的丁基锂在己烷中的反应得到3-丁基代烷基-1-炔；反应性中间体是二硫代炔烃，也可以直接从末端乙炔制备，并且在炔丙基位点发生与烷基卤在己烷中的选择性反应，从而提供3-烷基烷-1-炔的一般合成。
• HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AND METHODS (I)
  申请人：Brown Christopher T.

  公开号：US20120001127A1

  公开（公告）日：2012-01-05

  A composition comprising: at least one compound comprising a hole transporting core, wherein the core is covalently bonded to a first arylamine group and also covalently bonded to a second arylamine group different from the first, and wherein the compound is covalently bonded to at least one intractability group, wherein the intractability group is covalently bonded to the hole transporting core, the first arylamine group, the second arylamine group, or a combination thereof, and wherein the compound has a molecular weight of about 5,000 g/mole or less. Blended mixtures of arylamine compounds, including fluorene core compounds, can provide good film formation and stability when coated onto hole injection layers. Solution processing of OLEDs is a particularly important application.

  一种组分，包括：至少一种包含传输空穴核的化合物，其中该核与第一芳胺基团和与第一芳胺基团不同的第二芳胺基团共价键合，且该化合物与至少一种难溶性基团共价键合，其中该难溶性基团与传输空穴核、第一芳胺基团、第二芳胺基团或其组合之一共价键合，且该化合物的分子量约为5,000克/摩尔或更低。芳胺化合物的混合物，包括芴核化合物，当涂覆到空穴注入层时，可以提供良好的膜形成和稳定性。 OLEDs的溶液处理是一个特别重要的应用。