3-(2-苯基乙基)-1H-茚 | 52957-98-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚和异茚
• 中文名称: 3-(2-苯基乙基)-1H-茚
• 英文名称: (1-phenyl ethyl)indene
• 英文别名: 1-(phenyl ethyl)indene；3-phenethyl-1H-indene；3-phenethyl-indene；3-Phenaethyl-inden；3-(2-Phenylethyl)-1H-indene
• CAS: 52957-98-9
• 化学式: C₁₇H₁₆
• 分子量: 220.314
• InChiKey: WKXHZNNDNSSDGS-UHFFFAOYSA-N

物化性质

• 沸点：
  186 °C(Press: 9 Torr)
• 密度：
  1.0705 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 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-(2-苯基乙基)-1H-茚 在 硫酸 、 溶剂黄146 作用下， 生成 1,2-苯并芴
  参考文献：
  名称：

  88.与固醇，胆汁酸和发情激素有关的化合物的合成。第二部分。一些四环氢芳烃的形成

  摘要：

  DOI：

  10.1039/jr9340000365
• 作为产物：
  描述：

  乙基溴苯 、 茚 在 正丁基锂 作用下， 以 乙醚 、 正己烷 为溶剂， 以75%的产率得到3-(2-苯基乙基)-1H-茚
  参考文献：
  名称：

  Polymerization of ethene with zirconocene catalysts: an experimental and quantum chemical study of the influence of para-substituent in benzyl in bis{η5-(1-benzyl)indenyl}zirconium dichlorides

  摘要：

  The meso- and rac-like isomers of bis {eta(5)-(1-benzyl)indenyl) zirconium dichloride (5), bis {eta(5)-(1-para-methoxybenzyl)indenyl} zirconium dichloride (6), bis {eta(5)-(1-para-fluoro-benzyl)indenyl zirconium dichloride (7) and bis {eta(5)-(1-phenylethyl)indenyl} zirconium dichloride (8) were synthesized and isolated. Solid-state structures of meso- and rac-like 5 were determined by X-ray structure analysis. Polymerization properties of the methylaluminoxane (MAO) activated diastereomers of complexes 5-8 were studied in ethene polymerizations under different monomer concentrations. The rac-like isomer of 1-phenylethyl-substituted 8/MAO showed significantly higher activity than the 1-benzyl substituted analogs 5-7/MAO. In addition, rac-8/MAO behaves like a single center catalyst producing polyethene with narrow molar mass distribution (1.8-1.9), while diastereomers of 5-7/MAO produce polymers with molar mass distributions varying from 2.7 up to 10.3. The rac and meso-like isomers of 5-7/MAO have different response on the monomer concentration. Quantum chemical calculations suggest a strong interaction between the benzyl substituent and the electron deficient zirconium center. The phenyl metal coordination energies depend on the electronic properties of the para-substituent. In 8/MAO, due to the ethyl spacer, the coordination does not have a significant role and therefore much higher activity and single center polymerization behavior is observed. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2004.09.089

文献信息

• Copper-Catalyzed Oxidative Heck Reactions between Alkyltrifluoroborates and Vinyl Arenes
  作者：Timothy W. Liwosz、Sherry R. Chemler

  DOI：10.1021/ol401220b

  日期：2013.6.21

  potassium alkyltrifluoroborates can be utilized in oxidative Heck-type reactions with vinyl arenes. The reaction is catalyzed by a Cu(OTf)2/1,10-phenanthroline with MnO2 as the stoichiometric oxidant. In addition to the alkyl Heck, amination, esterification, and dimerization reactions of alkyltrifluoroborates are demonstrated under analogous reaction conditions. Evidence for an alkyl radical intermediate

  我们在此报告烷基三氟硼酸钾可用于与乙烯基芳烃的氧化 Heck 型反应。该反应由Cu(OTf) 2 /1,10-菲咯啉以MnO 2作为化学计量氧化剂催化。除了烷基 Heck 之外，烷基三氟硼酸酯的胺化、酯化和二聚反应也在类似的反应条件下得到了证明。提供了烷基自由基中间体的证据。
• Cook et al., Journal of the Chemical Society, 1934, p. 1727,1736
  作者：Cook et al.

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  作者：Nowicki,R.、Fabrycy,A.

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  作者：MALXASYAN A. TS.、 DZHANDZHULYAN ZH. L.、 MIRAKYAN S. M.、 MARTIROSYAN G. T.

  DOI：——

  日期：——
• MALXASYAN A. TS.; DZHANDZHULYAN ZH. L.; MARKARYAN SH. A.; ENGOYAN A. P.; +, ARM. XIM. ZH., 1977, 30, HO 8, 680-684
  作者：MALXASYAN A. TS.、 DZHANDZHULYAN ZH. L.、 MARKARYAN SH. A.、 ENGOYAN A. P.、 +

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