3-bromo-2-ethyl-1-benzofuran | 325465-53-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 3-bromo-2-ethyl-1-benzofuran
• 英文别名: 3-bromo-2-ethyl-benzofuran
• CAS: 325465-53-0
• 化学式: C₁₀H₉BrO
• mdl: MFCD02380364
• 分子量: 225.085
• InChiKey: PSOKQSNKTAQFKV-UHFFFAOYSA-N

物化性质

• 沸点：
  269.1±20.0 °C(Predicted)
• 密度：
  1.448±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  13.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-bromo-2-ethyl-1-benzofuran 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 5.34h， 生成 1-(2-ethyl-3-benzofuranyl)-2-(2-methoxyphenyl)perfluorocyclopentene
  参考文献：
  名称：

  Photochromism of new diarylethene derivatives based on the hybrid photochromic skeleton of benzofuran and benzene moieties

  摘要：

  Four new photochromic diarylethenes with both benzofuran and benzene moieties were synthesized, and the structures of three diarylethenes were determined by single-crystal X-ray diffraction analysis. The six-membered benzene ring was connected directly to the central perfluorocyclopentene unit as an aryl moiety and available to participate in photoisomerization reaction. All the diarylethenes exhibit favorable photochromism and function as notable fluorescence switches in both hexane and poly(methyl methacrylate) films. The electron-donating substituents effectively enhanced the cyclization quantum yields, while the electron-withdrawing substituents notably shifted the fluorescent emission peaks to a longer wavelength in both solution and poly(methyl methacrylate) films. The result indicated that the different substituents linked at the reactive carbon atom of the benzene moiety had a significant effect on their optical and electrochemical properties. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2013.09.026
• 作为产物：
  描述：

  2-乙基苯并呋喃 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 四氢呋喃 为溶剂， 反应 18.0h， 以62%的产率得到3-bromo-2-ethyl-1-benzofuran
  参考文献：
  名称：

  红移和荧光核苷和寡核苷酸二芳基乙烯光开关的开发

  摘要：

  对基于核苷的二芳基乙烯的核心结构进行了修改，目的是使吸收波长在可见光范围 (λ max,vis ) 发生红移，并引入可光调制的荧光。扩展桥接单元的 π 系统导致所需的 λ max,vis的红移，并且可以通过引入荧光腺苷类似物来获得荧光性。

  DOI：

  10.1002/chem.202103133

文献信息

• Methods of using heterocycle-amine ligands, compositions, complexes, and catalysts
  申请人：Diamond M. Gary

  公开号：US20060094839A1

  公开（公告）日：2006-05-04

  Ligands, compositions, and metal-ligand complexes that incorporate heterocycle-amine compounds are disclosed that are useful in the catalysis of transformations such as the polymerization of monomers into polymers. The catalysts have high performance characteristics, including higher comonomer incorporation into ethylene/olefin copolymers, where such olefins are for example, 1-octene, propylene or styrene. The catalysts also polymerize propylene to form isotactic polypropylene.

  揭示了包含杂环胺化合物的配体、组合物和金属配体络合物，这些化合物在催化转化中非常有用，例如将单体聚合成聚合物。这些催化剂具有高性能特征，包括将共聚单体更多地并入乙烯/烯烃共聚物中，其中这些烯烃例如为1-辛烯、丙烯或苯乙烯。这些催化剂还可以聚合丙烯形成同向聚丙烯。
• HAFNIUM COMPLEXES OF HETEROCYCLIC ORGANIC LIGANDS
  申请人：Vosejpka Paul C.

  公开号：US20090069567A1

  公开（公告）日：2009-03-12

  Hafnium complexes of heterocyclic organic ligands having improved solubility in aliphatic hydrocarbon solvents and their use as components of olefin polymerization catalysts as well as novel syntheses of component parts thereof are disclosed.

  本发明揭示了具有改善的溶解性的杂环有机配体的铪配合物，在脂肪烃溶剂中的使用作为烯烃聚合催化剂的组分，以及其组分部分的新合成方法。
• Photochromism of Diarylethene Derivatives Having<i>n</i>-Alkylbenzothiophene and<i>n</i>-Alkylbenzofuran Units
  作者：Tadatsugu Yamaguchi、Masahiro Irie

  DOI：10.1246/bcsj.79.1100

  日期：2006.7

  Photochromic diarylethenes having benzofuran and benzothiophene rings have been synthesized and their photochromic performance in a single-crystalline phase has been examined. Although l,2-bis(2-methyl-1-benzothiophen-3-yl)perfluorocyclopentene (la) is photochemically inactive in the single-crystalline phase, diarylethene derivatives having a benzofuran ring (2a and 3a) undergo photochromism in the single-crystalline

  已经合成了具有苯并呋喃和苯并噻吩环的光致变色二芳基乙烯，并研究了它们在单晶相中的光致变色性能。尽管 1,2-双 (2-甲基-1-苯并噻吩-3-基) 全氟环戊烯 (Ia) 在单晶相中是无光化学活性的，但具有苯并呋喃环的二芳基乙烯衍生物（2a 和 3a）在单晶相中发生光致变色。结晶相。还合成了在2-位(4a-6a)具有乙基、丙基和丁基链的1-(1-苯并呋喃-3-基)-2-(1-苯并噻吩-3-基)六氟环戊烯。具有丙基链的衍生物(5a)在单晶相中经历光致变色。在紫外线照射下，晶体在单晶相中显示出鲜艳的红色。
• Photochromism of 1,2-Bis(2-alkyl-1-benzofuran-3-yl)perfluorocyclopentene Derivatives
  作者：Tadatsugu Yamaguchi、Masahiro Irie

  DOI：10.1002/ejoc.200600011

  日期：2006.7

  [reaction: see text] Photochromic diarylethene derivatives having benzofuran heteroaryl groups, bis(2-methyl-1-benzofuran-3-yl)perfluorocyclopentene and bis(2-butyl-1-benzofuran-3-yl)perfluorocyclopentene, were synthesized, and their photochromic performance was examined in hexane solution as well as in the single-crystalline phase. The compounds exhibited photochromic reactivity even in the single-crystalline

  [反应：见正文] 合成了具有苯并呋喃杂芳基的光致变色二芳基乙烯衍生物，双(2-甲基-1-苯并呋喃-3-基)全氟环戊烯和双(2-丁基-1-苯并呋喃-3-基)全氟环戊烯，并在己烷溶液和单晶相中检查了它们的光致变色性能。即使在单晶相中，这些化合物也表现出光致变色反应性。
• ORTHO-METALLATED HAFNIUM COMPLEXES OF IMIDAZOLE LIGANDS
  申请人：Boone Harold W.

  公开号：US20090306318A1

  公开（公告）日：2009-12-10

  Hafnium complexes of heterocyclic organic imidazol-2-yl ligands containing internal orthometallation and their use as components of olefin polymerization catalyst compositions, especially supported catalyst compositions, are disclosed.

  本发明揭示了含有内部正金属化的杂环有机咪唑-2-基配体的铪配合物及其用作烯烃聚合催化剂组分，特别是支持催化剂组成物的用途。