isopropyl 1-(9'-fluorenyl)naphthalene-2-carboxylate | 264872-24-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: isopropyl 1-(9'-fluorenyl)naphthalene-2-carboxylate
• 英文别名: propan-2-yl 1-(9H-fluoren-9-yl)naphthalene-2-carboxylate
• CAS: 264872-24-4
• 化学式: C₂₇H₂₂O₂
• 分子量: 378.47
• InChiKey: YWWAHFXYRMDUMG-UHFFFAOYSA-N

物化性质

• 沸点：
  532.6±29.0 °C(Predicted)
• 密度：
  1.190±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  isopropyl 1-(9'-fluorenyl)naphthalene-2-carboxylate 在 氯化亚砜 、 magnesium 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 62.0h， 生成 9-[2'-(1",3"-cyclopenadien-1"-yl)-1'-naphthyl]-fluorene
  参考文献：
  名称：

  Zirconocene dichloride complexes with a 1,2-naphthylidene bridge as catalysts for the polymerisation of ethylene and propylene

  摘要：

  Ansa-zirconocene dichloride complexes containing a 9-fluorenyl group at the 1-position of naphthalene and a 2-indenyl 12, 1-indenyl 13, or cyclopentadienyl 14 group at the 2-position of the naphthalene were synthesised and characterised. The molecular structures of the complexes have been determined by single crystal X-ray diffraction studies. After activation with excess methyl-alumoxane (MAO). the complexes were used as homogeneous catalysts for the homopolymerisation of ethylene and propylene. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2004.03.021
• 作为产物：
  描述：

  1-bromo-2-naphthoyl chloride 在 吡啶 、 Oxone 、 丙酮 作用下， 以 四氢呋喃 、 二氯甲烷 、 碳酸氢钠 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 24.0h， 生成 isopropyl 1-(9'-fluorenyl)naphthalene-2-carboxylate
  参考文献：
  名称：

  对映体合成的平面手性芴基ansa-茂金属：[1-（9-芴基）-和[1-（1-甲基-9-芴基）-2-（2-茚基）萘]二氯化锆的合成和结构

  摘要：

  Di-lithiation of +ac(R)-1-methyl-9-[2-(2-indenyl)-1-naphthyl]fluorene, +ac(R)-6, generates an axially chiral fluorenyl ligand, (a-S)-10, which on reaction with ZrCl4enantiospecifically提供平面手性柄型-zirconocene（对小号） - [1-（1-甲基- 9-芴基）-2-（2-茚基）萘]二氯化锆，（对小号） - 8 ; 已被确定为外消旋单晶X射线结构安莎-zirconocene外消旋- 8和相关Ç小号-对称安莎-锆茂 7。

  DOI：

  10.1039/a910246i

文献信息

• A new synthesis of 3-substituted-1H-indenes through reaction of o-(β-magnesioalkyl)phenylmagnesium dihalides with carboxylate esters
  作者：Robert W. Baker、Michael A. Foulkes、Michael Griggs、Bao N. Nguyen

  DOI：10.1016/s0040-4039(02)02344-4

  日期：2002.12

  A new synthesis of 3-substituted-1H-indenes has been developed through the reaction of o-(β-magnesioalkyl)phenylmagnesium dihalides with carboxylate esters, followed by dehydration of the intermediate 1-substituted-1-indanols. Di-Grignard reagents allowing the synthesis of 3-substituted-, 2-methyl-3-substituted-, and 4-methyl-3-substituted-1H-indenes have been prepared, with overall yields for the

  通过邻-（β-镁烷基烷基）苯基二卤化镁与羧酸酯的反应，然后使中间的1-取代-1-茚满醇脱水，开发了3-取代-1 H-茚的新合成方法。已经制备了允许合成3-取代的，2-甲基-3-取代的和4-甲基-3-取代的-1 H-茚的二格里纳试剂，两步序列的总产率为45至95％。
• Zirconocene dichloride complexes with a 1,2-naphthylidene bridge as catalysts for the polymerisation of ethylene and propylene
  作者：Helmut G Alt、Robert W Baker、Mahmoud Dakkak、Michael A Foulkes、Marc O Schilling、Peter Turner

  DOI：10.1016/j.jorganchem.2004.03.021

  日期：2004.6

  Ansa-zirconocene dichloride complexes containing a 9-fluorenyl group at the 1-position of naphthalene and a 2-indenyl 12, 1-indenyl 13, or cyclopentadienyl 14 group at the 2-position of the naphthalene were synthesised and characterised. The molecular structures of the complexes have been determined by single crystal X-ray diffraction studies. After activation with excess methyl-alumoxane (MAO). the complexes were used as homogeneous catalysts for the homopolymerisation of ethylene and propylene. (C) 2004 Elsevier B.V. All rights reserved.
• Enantiospecific synthesis of a planar chiral fluorenylzirconium ansa-metallocene: synthesis and structures of [1-(9-fluorenyl)- and [1-(1-methyl-9-fluorenyl)-2-(2-indenyl)naphthalene]zirconium dichloride
  作者：Robert W. Baker、Michael A. Foulkes、Peter Turner

  DOI：10.1039/a910246i

  日期：——

  an axially chiral fluorenyl ligand, (a-S)-10, which on reaction with ZrCl4 enantiospecifically provides the planar chiral ansa-zirconocene (p-S)-[1-(1-methyl-9-fluorenyl)-2-(2-indenyl)naphthalene]zirconium dichloride, (p-S)-8; single crystal X-ray structures have been determined for the racemic ansa-zirconocene rac-8 and the related Cs-symmetric ansa-zirconocene 7.

  Di-lithiation of +ac(R)-1-methyl-9-[2-(2-indenyl)-1-naphthyl]fluorene, +ac(R)-6, generates an axially chiral fluorenyl ligand, (a-S)-10, which on reaction with ZrCl4enantiospecifically提供平面手性柄型-zirconocene（对小号） - [1-（1-甲基- 9-芴基）-2-（2-茚基）萘]二氯化锆，（对小号） - 8 ; 已被确定为外消旋单晶X射线结构安莎-zirconocene外消旋- 8和相关Ç小号-对称安莎-锆茂 7。