1-溴-4-[2-(4-丁基苯基)乙炔基]苯 | 62856-45-5

• 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: 1-溴-4-[2-(4-丁基苯基)乙炔基]苯
• 英文名称: p-(p-butylphenylethynyl)bromobenzene
• 英文别名: 1-bromo-4-[(4-butylphenyl)ethynyl]benzene；1-bromo-4-[2-(4-butylphenyl)ethynyl]benzene
• CAS: 62856-45-5
• 化学式: C₁₈H₁₇Br
• 分子量: 313.237
• InChiKey: ODTCTUUGGPJLDI-UHFFFAOYSA-N

物化性质

• 沸点：
  394.6±35.0 °C(Predicted)
• 密度：
  1.28±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 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：

  1-溴-4-[2-(4-丁基苯基)乙炔基]苯 在 甲醇 、 三丁基膦 、 联硼酸频那醇酯 、 copper(I) bromide 、 sodium hydroxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以59 %的产率得到(Z)-1-bromo-4-(4-butylstyryl)benzene
  参考文献：
  名称：

  Copper-Catalyzed Diboron-Mediated cis-Semi-Hydrogenation of Alkynes under Facile Conditions

  摘要：

  顺式烯烃在生物分子中无处不在，因此开发高效的顺式烯烃制造方法意义重大。在此，我们报道了以溴化亚铜/三丁基膦为催化剂，双（频哪醇胺）二硼/甲醇为供氢体，高效地将炔烃半氢化为顺式烯烃的方法。该方法具有反应条件简便、底物范围广、产率高和立体选择性高等特点。

  DOI：

  10.3390/molecules27217213
• 作为产物：
  描述：

  4-(4-butylphenyl)-2-methylbut-3-yn-2-ol 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide sodium hydroxide 、 三乙胺 、 三苯基膦 作用下， 以 甲苯 为溶剂， 生成 1-溴-4-[2-(4-丁基苯基)乙炔基]苯
  参考文献：
  名称：

  High Birefringence Phenylacetylene Liquid Crystals with Low Viscosity

  摘要：

  We have synthesized new high Delta n 3-ring phenylacetylene(3PA) liquid crystals which have substituent groups with core center phenyl ring and investigated the effects of substitution on physical properties. Nematic range and viscosity were improved remarkably with keeping high Delta n by introducing trifluoromrthoxy group. The Delta n of 3PAs were also descussed with relationship of polarizability and order parameter.

  DOI：

  10.1080/10587250108025039

文献信息

• [EN] METHOD FOR PREPARING PARA-PHENYL ALKYNYL BENZALDEHYDES<br/>[FR] PROCEDE DE PREPARATION DE PARA-PHENYL ALKYNYLE BENZALDEHYDES
  申请人：APPLIED RESEARCH SYSTEMS

  公开号：WO2005037758A1

  公开（公告）日：2005-04-28

  The present invention is related to a new synthesis for preparing para-phenyl alkynyl benzaldehyde of general formula (I). The compounds of formula (I) are useful building blocks, in particular in the synthesis of electrically conducting polymers. R is selected from the group consisting of C1-C12-alkyl, C1-C12-alkyl aryl, C1-C12-alkyl heteroaryl, C2-C12-alkenyl, C2­C12-alkenyl aryl, C2-C12-alkenyl heteroaryl, C2-C12--alkynyl, C2-C12-alkynyl aryl, C2-C12-alkynyl heteroaryl, C3-C8-cycloalkylC1-C12--alkyl-C3-C8-cycloalkyl, C1-C12-alkoxy, aryl, heteroaryl, halides.

  本发明涉及一种制备通式（I）的对苯基炔基苯甲醛的新合成方法。通式（I）化合物是有用的构建模块，特别在合成导电聚合物中。R从以下组中选择：C1-C12-烷基，C1-C12-烷基芳基，C1-C12-烷基杂芳基，C2-C12-烯基，C2-C12-烯基芳基，C2-C12-烯基杂芳基，C2-C12-炔基，C2-C12-炔基芳基，C2-C12-炔基杂芳基，C3-C8-环烷基C1-C12-烷基-C3-C8-环烷基，C1-C12-烷氧基，芳基，杂芳基，卤素。
• Tridurylboranes Extended by Three Arylethynyl Groups as a New Family of Boron-Based π-Electron Systems
  作者：Shigehiro Yamaguchi、Toshiaki Shirasaka、Kohei Tamao

  DOI：10.1021/ol006660q

  日期：2000.12.1

  series of tris(phenylethynylduryl)boranes (R-C(6)H(4)-C&tbd1;C-duryl)(3)B with various substituents R have been prepared as air-stable solids owing to the steric protection of the boron atom by the three bulky duryl groups. These compounds show unique photophysical properties due to the p(pi)-pi conjugation through the p-orbital on the boron atom. In particular, a push-pull type derivative with R =

  由于硼原子的空间保护作用，已将一系列具有各种取代基R的三（苯基乙炔基二氢基）硼烷（RC（6）H（4）-C＆tbd1; C-二氢基）（3）B制备为空气稳定的固体三个笨重的duryl组。这些化合物由于通过硼原子上的p轨道的p（pi）-pi共轭而显示出独特的光物理性质。特别是，R = NMe（2）的推挽型导数显示出显着的从蓝色到橙色的荧光溶剂化变色现象。
• Method For Preparing Para-Phenyl Alkynyl Benzaldehydes
  申请人：Swinnen Dominique

  公开号：US20080108849A1

  公开（公告）日：2008-05-08

  The present invention is related to a new synthesis for preparing para-phenyl alkynyl benzaldehyde of general formula (I). The compounds of formula (1) are useful building blocks, in particular in the synthesis of electrically conducting polymers. R is selected from the group consisting of C 1 -C 12 -alkyl, C 1 -C 12 -alkyl aryl, C 1 -C 12 -alkyl heteroaryl, C 2 -C 12 -alkenyl, C 2 C 12 -alkenyl aryl, C 2 -C 12 -alkenyl heteroaryl, C 2 -C 12 -alkynyl, C 2 -C 12 -alkynyl aryl, C 2 -C 12 -alkynyl heteroaryl, C 3 -C 8 -cycloalkylC 1 -C 12 --alkyl-C 3 -C 8 -cycloalkyl, C 1 -C 12 -alkoxy, aryl, heteroaryl, halides.

  本发明涉及一种制备通式（I）的对苯基炔基苯甲醛的新合成方法。式（I）的化合物是有用的构建块，特别是在电导聚合物的合成中。R选择自C1-C12-烷基，C1-C12-烷基芳基，C1-C12-烷基杂芳基，C2-C12-烯基，C2C12-烯基芳基，C2-C12-烯基杂芳基，C2-C12-炔基，C2-C12-炔基芳基，C2-C12-炔基杂芳基，C3-C8-环烷基C1-C12-烷基C3-C8-环烷基，C1-C12-烷氧基，芳基，杂芳基，卤素的群组中选择。
• Method for preparing para-phenyl alkynyl benzaldehydes
  申请人：Laboratoires Serono SA

  公开号：US07479575B2

  公开（公告）日：2009-01-20

  The present invention is related to a new synthesis for preparing para-phenyl alkynyl benzaldehyde of general formula (I). The compounds of formula (I) are useful building blocks, in particular in the synthesis of electrically conducting polymers. R is selected from the group consisting of C1-C12-alkyl, C1-C12-alkyl aryl, C1-C12-alkyl heteroaryl, C2-C12-alkenyl, C2C12-alkenyl aryl, C2-C12-alkenyl heteroaryl, C2-C12-alkynyl, C2-C12-alkynyl aryl, C2-C12-alkynyl heteroaryl, C3-C8-cycloalkylC1-C12-alkyl-C3-C8-cycloalkyl, C1-C12-alkoxy, aryl, heteroaryl, halides.

  本发明涉及一种制备通式（I）的对苯基炔基苯甲醛的新合成方法。公式（I）化合物是有用的构建模块，特别是在合成导电聚合物中。R选择自C1-C12-烷基，C1-C12-烷基芳基，C1-C12-烷基杂环芳基，C2-C12-烯基，C2C12-烯基芳基，C2-C12-烯基杂环芳基，C2-C12-炔基，C2-C12-炔基芳基，C2-C12-炔基杂环芳基，C3-C8-环烷基C1-C12-烷基C3-C8-环烷基，C1-C12-烷氧基，芳基，杂环芳基，卤素群组中选择。
• METHOD FOR PREPARING PARA-PHENYL ALKYNYL BENZALDEHYDES
  申请人：Laboratoires Serono SA

  公开号：EP1675813B1

  公开（公告）日：2007-12-19