1-methyl-3-phenylcyclopentadiene | 99990-13-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-methyl-3-phenylcyclopentadiene
• 英文别名: 3-methyl-1-phenylcyclopentadiene；1-Methyl-3-phenyl-cyclopentadien；1-Phenyl-3-methyl-cyclopentadien；1-Methyl-3-Phenyl-1,3-Cyclopentadiene；(4-methylcyclopenta-1,4-dien-1-yl)benzene
• CAS: 99990-13-3
• 化学式: C₁₂H₁₂
• 分子量: 156.227
• InChiKey: QNQZTQQKPFDOQA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 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-methyl-3-phenylcyclopentadiene 、 二氯二甲基硅烷 在 正丁基锂 作用下， 生成
  参考文献：
  名称：

  ansa-Metallocene derivatives

  摘要：

  Titanocene and zirconocene complexes with a phenyl or 1-naphthyl substituent in one beta-position of each C5-ring ligand and with an interannular tetramethylethano- or dimethylsilano-bridge have been prepared. Racemic complex isomers, which are formed together with varying amounts of their meso isomers, were separated from the latter and characterised by H-1 NMR spectroscopy and X-ray crystallographic studies.

  DOI：

  10.1016/0022-328x(91)80157-f
• 作为产物：
  描述：

  3-甲基-2-环戊烯-1-酮 以 乙醚 为溶剂， 160.0 ℃ 、1.33 kPa 条件下， 生成 1-methyl-3-phenylcyclopentadiene
  参考文献：
  名称：

  ansa-Metallocene derivatives

  摘要：

  Titanocene and zirconocene complexes with a phenyl or 1-naphthyl substituent in one beta-position of each C5-ring ligand and with an interannular tetramethylethano- or dimethylsilano-bridge have been prepared. Racemic complex isomers, which are formed together with varying amounts of their meso isomers, were separated from the latter and characterised by H-1 NMR spectroscopy and X-ray crystallographic studies.

  DOI：

  10.1016/0022-328x(91)80157-f

文献信息

• General Synthetic Route to Substituted Bis(cyclopentadienyl)- and Bis(indenyl)methanes
  作者：Ilya E. Nifant'ev、Pavel V. Ivchenko、Lyudmila G. Kus'mina、Yuri N. Luzikov、Alexander A. Sitnikov、Oleg E. Sizan

  DOI：10.1055/s-1997-1200

  日期：1997.4

  Several substituted bis(cyclopentadienyl)- and bis(indenyl)methanes were synthesized directly from the corresponding cyclopentadienes (indenes) and ketones in KOH/DME two-phase mixture.

  几种取代的双(cyclopentadienyl)-和双(indenyl)甲烷直接从相应的环戊二烯（茚）和酮在KOH/DME双相混合体系中合成。
• Process for the preparation of ethylene polymers
  申请人：——

  公开号：US20020198339A1

  公开（公告）日：2002-12-26

  Ethylene based polymers having high molecular weights can be obtained in high yields at temperatures of industrial interest, by carrying out the polymerization reaction in the presence of catalysts comprising single carbon bridged metallocenes, which has a particular ligand system containing a heteroatom.

  具有高分子量的乙烯基聚合物可以在工业温度下，在单碳桥联的金属茂络合物催化剂的存在下进行聚合反应，该催化剂具有特定的配体系统，其中包含一个杂原子，从而可以高产得到。
• Hetero cyclic metallocene compounds and use thereof in catalyst system for producing olefin polymers
  申请人：——

  公开号：US20030036612A1

  公开（公告）日：2003-02-20

  1 A metallocene compound of general formula (I): LGZMXp, wherein L is a divalent group, Z is a moiety of formula (II), wherein R 3 and R 4 are selected from hydrogen and hydrocarbon groups; A and B are selected from S, O or CR 5 , wherein R 5 is selected from hydrogen and hydrocarbon groups, either A or B being different from CR 5 ; G is a moiety of formula (III), wherein R 6 , R 7 , R 8 and R 9 are selected from hydrogen and hydrocarbon groups, M is an atom of a transition metal, X is selected from a halogen atom, a R 10 , OR 10 , OSO 2 CF 3 , OCOR 10 , SR 10 , NR 10 2 or PR 10 2 group, wherein the substituents R 10 is hydrogen and a hydrocarbon group; p is an integer from 0 to 3.

  一种通式为(I)的1A金属茂化合物：LGZMXp，其中L是二价基团，Z是通式(II)的一部分，其中R3和R4选择自氢和烃基团；A和B选择自S、O或CR5，其中R5选择自氢和烃基团，A或B至少有一个不同于CR5；G是通式(III)的一部分，其中R6、R7、R8和R9选择自氢和烃基团，M是一个过渡金属原子，X选择自卤素原子、R10、OR10、OSO2CF3、OCOR10、SR10、NR102或PR102基团，其中取代基R10是氢和烃基团；p是从0到3的整数。
• Carbonium Ions. XIX. The Intense Conjugation in Cyclopropyl Carbonium Ions¹
  作者：N. C. Deno、Herman G. Richey、Jane S. Liu、David N. Lincoln、John O. Turner

  DOI：10.1021/ja00948a024

  日期：1965.10
• ansa-Metallocene derivatives
  作者：Peter Burger、Kai Hortmann、Josef Diebold、Hans-Herbert Brintzinger

  DOI：10.1016/0022-328x(91)80157-f

  日期：1991.10

  Titanocene and zirconocene complexes with a phenyl or 1-naphthyl substituent in one beta-position of each C5-ring ligand and with an interannular tetramethylethano- or dimethylsilano-bridge have been prepared. Racemic complex isomers, which are formed together with varying amounts of their meso isomers, were separated from the latter and characterised by H-1 NMR spectroscopy and X-ray crystallographic studies.