Indene propionic acid methyl ester | 67976-93-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚和异茚
• 英文名称: Indene propionic acid methyl ester
• 英文别名: methyl 3-(1H-inden-1-yl)propanoate
• CAS: 67976-93-6
• 化学式: C₁₃H₁₄O₂
• 分子量: 202.253
• InChiKey: PSYFJZXHGPYZEO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 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：

  邻二氯苄 、 Indene propionic acid methyl ester 在 magnesium 、 对甲苯磺酸 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 2.0h， 生成 1-(2-indenyl)-2-(3-indenyl)ethane 、 1-[2-(1H-inden-2-yl)ethyl]-1H-indene
  参考文献：
  名称：

  Propylene Polymerization with 1,2‘-Bridged Bis(indenyl)zirconium Dichlorides

  摘要：

  A series of C-1 symmetric, 1,2'-bridged bis(indenyl)zirconium dichlorides were prepared to study the effect of ligand substitution, symmetry, and bridge identity on the stereoselectivity of propylene polymerization. Unsubstituted [1-(1-indenyl)-2-(2-indenyl)ethane] zirconium dichloride, Et(2-Ind)(1-Ind)-ZrCl2 (1), was synthesized, and its propylene polymerization behavior was compared to three 2-phenyl-substituted complexes with different bridges: [2-(2-indenyl)-1-(2-phenyl-1-indenyl)ethane] zirconium dichloride, Et(2-Ind)(2-Ph-1-Ind)ZrCl2 (2), [(2-indenyl)-(2-phenyl-1-indenyl)dimethylsilyl] zirconium dichloride, Me2Si(2-Ind)(2-Ph-1-Ind)ZrCl2 (3), and [(2-indenyl)-(2-phenyl- 1-indenyl)methane] zirconium dichloride, CH2(2-Ind)(2-Ph-1-Ind)ZrCl2 (4). The polymerization activity, polypropylene molecular weight, and microstructure were dependent upon the identity of the bridge and the substitution patterns on the metallocenes. Metallocenes 1, 2, 3, and 4 are characterized by a gauche orientation of the indenyl ligands, in contrast to the anti or syn orientation of 1,1'-bridged ansa-bis(indenyl)metallocenes. The gauche metallocene 3 yields a polypropylene of intermediate isotacticity ([mmmm] = 58%) when compared to the C-2 symmetric anti-Me2Si(2-phenyl- 1-indenyl)(2)ZrCl2 ([mmmm] = 86%) and the C-8 symmetric syn-Me2Si(2-phenyl-1-indenyl)2ZrCl2 ([mmmm] = 7%). The gauche metallocene 2 yielded the most highly isotactic polypropylene ([mmmm] = 74%). Analysis of the sequence distributions of the polypropylenes derived from metallocenes 1-4 reveals a predominance of [mrrm] stereoerrors. The high stereoselectivity of the bridged metallocenes 1-4 implies that gauche conformations may be responsible for some of the higher tacticity fractions observed in polypropylenes derived from the unbridged 2-arylindene metallocenes.

  DOI：

  10.1021/ma0303972
• 作为产物：
  描述：

  3-溴丙酸甲酯 、 茚 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 以52%的产率得到Indene propionic acid methyl ester
  参考文献：
  名称：

  Propylene Polymerization with 1,2‘-Bridged Bis(indenyl)zirconium Dichlorides

  摘要：

  A series of C-1 symmetric, 1,2'-bridged bis(indenyl)zirconium dichlorides were prepared to study the effect of ligand substitution, symmetry, and bridge identity on the stereoselectivity of propylene polymerization. Unsubstituted [1-(1-indenyl)-2-(2-indenyl)ethane] zirconium dichloride, Et(2-Ind)(1-Ind)-ZrCl2 (1), was synthesized, and its propylene polymerization behavior was compared to three 2-phenyl-substituted complexes with different bridges: [2-(2-indenyl)-1-(2-phenyl-1-indenyl)ethane] zirconium dichloride, Et(2-Ind)(2-Ph-1-Ind)ZrCl2 (2), [(2-indenyl)-(2-phenyl-1-indenyl)dimethylsilyl] zirconium dichloride, Me2Si(2-Ind)(2-Ph-1-Ind)ZrCl2 (3), and [(2-indenyl)-(2-phenyl- 1-indenyl)methane] zirconium dichloride, CH2(2-Ind)(2-Ph-1-Ind)ZrCl2 (4). The polymerization activity, polypropylene molecular weight, and microstructure were dependent upon the identity of the bridge and the substitution patterns on the metallocenes. Metallocenes 1, 2, 3, and 4 are characterized by a gauche orientation of the indenyl ligands, in contrast to the anti or syn orientation of 1,1'-bridged ansa-bis(indenyl)metallocenes. The gauche metallocene 3 yields a polypropylene of intermediate isotacticity ([mmmm] = 58%) when compared to the C-2 symmetric anti-Me2Si(2-phenyl- 1-indenyl)(2)ZrCl2 ([mmmm] = 86%) and the C-8 symmetric syn-Me2Si(2-phenyl-1-indenyl)2ZrCl2 ([mmmm] = 7%). The gauche metallocene 2 yielded the most highly isotactic polypropylene ([mmmm] = 74%). Analysis of the sequence distributions of the polypropylenes derived from metallocenes 1-4 reveals a predominance of [mrrm] stereoerrors. The high stereoselectivity of the bridged metallocenes 1-4 implies that gauche conformations may be responsible for some of the higher tacticity fractions observed in polypropylenes derived from the unbridged 2-arylindene metallocenes.

  DOI：

  10.1021/ma0303972

文献信息

• [EN] SLEEP INDUCING COMPOUNDS AND METHODS RELATING THERETO<br/>[FR] COMPOSES INDUCTEURS DE SOMMEIL ET METHODES ASSOCIEES
  申请人：NEUROCRINE BIOSCIENCES INC

  公开号：WO2005097093A1

  公开（公告）日：2005-10-20

  Compounds having the following structure: (I) including stereoisomers, prodrugs, and pharmaceutically acceptable salts thereof, wherein R1, R2a, R2b, R3, R4, R5a, R5b, L1, L2 and n are as defined herein. Pharmaceutical compositions containing one or more compounds of structure (I), as well as methods relating to the use thereof, including methods for treating insomnia, inducing sleep or inducing sedation or hypnosis, are also disclosed.

  具有以下结构的化合物：(I) 包括立体异构体、前药和其药用可接受的盐，其中R1、R2a、R2b、R3、R4、R5a、R5b、L1、L2和n如本文所定义。包含一个或多个结构(I)的化合物的药物组合物，以及与其使用相关的方法，包括用于治疗失眠、诱导睡眠或诱导镇静或催眠的方法，也被披露。
• Sleep inducing compounds and methods relating thereto
  申请人：Moree J. Wilna (Willy)

  公开号：US20050277645A1

  公开（公告）日：2005-12-15

  Compounds having the following structure: including stereoisomers, prodrugs, and pharmaceutically acceptable salts thereof, wherein R 1 , R 2a , R 2b , R 3 , R 4 , R 5a , R 5b , L 1 , L 2 and n are as defined herein. Pharmaceutical compositions containing one or more compounds of structure (I), as well as methods relating to the use thereof, including methods for treating insomnia, inducing sleep or inducing sedation or hypnosis, are also disclosed.

  以下具有以下结构的化合物，包括立体异构体，前药和其药物可接受的盐，其中R1，R2a，R2b，R3，R4，R5a，R5b，L1，L2和n的定义如下。还公开了含有结构（I）中一种或多种化合物的制药组合物，以及与其使用相关的方法，包括用于治疗失眠，诱导睡眠或诱导镇静或催眠的方法。
• Cyclopentadienylcopper(I)-isocyanide complex. New preparative method and catalyst activity
  作者：Takeo Saegusa、Yoshihiko Ito、Shimpei Tomita

  DOI：10.1021/ja00751a013

  日期：1971.11
• Propylene Polymerization with 1,2‘-Bridged Bis(indenyl)zirconium Dichlorides
  作者：Maik Finze、Sarah E. Reybuck、Robert M. Waymouth

  DOI：10.1021/ma0303972

  日期：2003.12.1

  A series of C-1 symmetric, 1,2'-bridged bis(indenyl)zirconium dichlorides were prepared to study the effect of ligand substitution, symmetry, and bridge identity on the stereoselectivity of propylene polymerization. Unsubstituted [1-(1-indenyl)-2-(2-indenyl)ethane] zirconium dichloride, Et(2-Ind)(1-Ind)-ZrCl2 (1), was synthesized, and its propylene polymerization behavior was compared to three 2-phenyl-substituted complexes with different bridges: [2-(2-indenyl)-1-(2-phenyl-1-indenyl)ethane] zirconium dichloride, Et(2-Ind)(2-Ph-1-Ind)ZrCl2 (2), [(2-indenyl)-(2-phenyl-1-indenyl)dimethylsilyl] zirconium dichloride, Me2Si(2-Ind)(2-Ph-1-Ind)ZrCl2 (3), and [(2-indenyl)-(2-phenyl- 1-indenyl)methane] zirconium dichloride, CH2(2-Ind)(2-Ph-1-Ind)ZrCl2 (4). The polymerization activity, polypropylene molecular weight, and microstructure were dependent upon the identity of the bridge and the substitution patterns on the metallocenes. Metallocenes 1, 2, 3, and 4 are characterized by a gauche orientation of the indenyl ligands, in contrast to the anti or syn orientation of 1,1'-bridged ansa-bis(indenyl)metallocenes. The gauche metallocene 3 yields a polypropylene of intermediate isotacticity ([mmmm] = 58%) when compared to the C-2 symmetric anti-Me2Si(2-phenyl- 1-indenyl)(2)ZrCl2 ([mmmm] = 86%) and the C-8 symmetric syn-Me2Si(2-phenyl-1-indenyl)2ZrCl2 ([mmmm] = 7%). The gauche metallocene 2 yielded the most highly isotactic polypropylene ([mmmm] = 74%). Analysis of the sequence distributions of the polypropylenes derived from metallocenes 1-4 reveals a predominance of [mrrm] stereoerrors. The high stereoselectivity of the bridged metallocenes 1-4 implies that gauche conformations may be responsible for some of the higher tacticity fractions observed in polypropylenes derived from the unbridged 2-arylindene metallocenes.