1.2.3.4.5-Pentakis--cyclopentadien-(2.4)-yl-bromid | 16664-62-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 1.2.3.4.5-Pentakis--cyclopentadien-(2.4)-yl-bromid
• 英文别名: Penta(p-tolyl)cyclopentadienylbromid；1-bromo-1,2,3,4,5,-penta-p-tolylcyclopenta-2,4-diene；5-bromo-1,2,3,4,5-penta-p-tolyl-1,3-cyclopentadiene；(C5(p-tol)5Br；5-Bromo-1,2,3,4,5-penta-p-tolyl-1,3-cyclopentadien；1-[1-Bromo-2,3,4,5-tetrakis(4-methylphenyl)cyclopenta-2,4-dien-1-yl]-4-methylbenzene；1-[1-bromo-2,3,4,5-tetrakis(4-methylphenyl)cyclopenta-2,4-dien-1-yl]-4-methylbenzene
• CAS: 16664-62-3
• 化学式: C₄₀H₃₅Br
• 分子量: 595.622
• InChiKey: LNRNZGXYULCUIE-UHFFFAOYSA-N

物化性质

• 沸点：
  658.2±55.0 °C(Predicted)
• 密度：
  1.234±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  10.2
• 重原子数：
  41
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.15
• 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：

  五羰基铁 、 1.2.3.4.5-Pentakis--cyclopentadien-(2.4)-yl-bromid 以 苯 为溶剂， 以76%的产率得到Fe(η5-C5(p-tolyl)5)(CO)2Br
  参考文献：
  名称：

  Field, Leslie D.; Masters, Anthony F.; Gibson, Michelle, Inorganic Chemistry, 1993, vol. 32, # 2, p. 211 - 217

  摘要：

  DOI：
• 作为产物：
  描述：

  1.2.3.4.5-Pentakis--cyclopentadien-(2.4)-ol-(1) 在 氢溴酸 作用下， 以 苯 为溶剂， 生成 1.2.3.4.5-Pentakis--cyclopentadien-(2.4)-yl-bromid
  参考文献：
  名称：

  Broser,W. et al., Chemische Berichte, 1968, vol. 101, p. 69 - 83

  摘要：

  DOI：

文献信息

• Di-, Hexa- und Deca-substituierte Decaphenylferrocene / Di-, Hexa- and Deca-Substituted Decaphenylferrocenes
  作者：Herbert Schumann、Klaudia Sühring

  DOI：10.1515/znb-2005-0404

  日期：2005.4.1

  5-Bromo-1,2,3,4-tetraphenyl-5-p-tolyl-1,3-cyclopentadiene (1a), 5-Bromo-1,4-di-phenyl-2,3,5- tri-p-tolyl-1,3-cyclopentadiene (1b), 5-Bromo-1,2,3,4,5-penta-p-tolyl-1,3-cyclopentadiene (1c), 5- Bromo-1,2,3,4-tetraphenyl-5-p-bromophenyl-1,3-cyclopentadiene (1d), and 5-Bromo-1,2,3,4-tetraphenyl- 5-p-anisyl-1,3-cyclopentadiene (1e) react with ironpentacarbonyl in m-xylene to yield the corresponding ferrocenes 2a - 2e. In the course of the purification procedure, reactions with HCl and the solvent m-xylene are observed which yield the mixed ionic sandwich complexes [(C₅Ph₄C₆H₄Me)Fe(C₆H₄Me₂)]⁺Cl⁻ (3a), [(C₅Ph₂(C₆H₄Me)₃)Fe(C₆H₄Me₂)]⁺Cl⁻ (3b), [(C₅(C₆H₄Me)₅)Fe(C₆H₄Me₂)]⁺Cl⁻ (3c), [(C₅Ph₄C₆H₄Br)Fe(C₆H₄Me₂)]⁺Cl⁻ (3d), and [(C₅Ph₄ C₆H₄OMe)Fe(C₆H₄Me₂)]⁺Cl⁻ (3e), respectively, along with the corresponding cyclopentadienes 1,2,3,4-tetraphenyl-5-p-tolyl-1,3-cyclopentadiene (4a), 1,4-diphenyl-2,3,5-tri-p-tolyl-1,3- cyclopentadiene (4b), 1,2,3,4,5-penta-p-tolyl-1,3-cyclopentadiene (4c), 1,2,3,4-tetraphenyl-5-pbromphenyl- 1,3-cyclopentadiene (4d), and 1,2,3,4-tetraphenyl-5-p-anisyl-1,3-cyclopentadiene (4e). The compounds have been characterized by elemental analysis, IR, NMR, and mass spectra, and, in the case of 2c, by ¹³C-CPMAS spectroscopy and X-ray powder diffractometry

  5-溴-1,2,3,4-四苯基-5-p-甲苯基-1,3-环戊二烯（1a），5-溴-1,4-二苯基-2,3,5-三-p-甲苯基-1,3-环戊二烯（1b），5-溴-1,2,3,4,5-五-p-甲苯基-1,3-环戊二烯（1c），5-溴-1,2,3,4-四苯基-5-p-溴苯基-1,3-环戊二烯（1d）和5-溴-1,2,3,4-四苯基-5-p-苯氧基-1,3-环戊二烯（1e）与m-二甲苯中的五羰基铁反应，形成相应的二茂铁化合物2a-2e。在纯化过程中，观察到与盐酸和溶剂m-二甲苯反应，生成混合离子夹层配合物[(C₅Ph₄C₆H₄Me)Fe(C₆H₄Me₂)]⁺Cl⁻（3a），[(C₅Ph₂(C₆H₄Me)₃)Fe(C₆H₄Me₂)]⁺Cl⁻（3b），[(C₅(C₆H₄Me)₅)Fe(C₆H₄Me₂)]⁺Cl⁻（3c），[(C₅Ph₄C₆H₄Br)Fe(C₆H₄Me₂)]⁺Cl⁻（3d）和[(C₅Ph₄ C₆H₄OMe)Fe(C₆H₄Me₂)]⁺Cl⁻（3e），以及相应的环戊二烯化合物1,2,3,4-四苯基-5-p-甲苯基-1,3-环戊二烯（4a），1,4-二苯基-2,3,5-三-p-甲苯基-1,3-环戊二烯（4b），1,2,3,4,5-五-p-甲苯基-1,3-环戊二烯（4c），1,2,3,4-四苯基-5-溴苯基-1,3-环戊二烯（4d）和1,2,3,4-四苯基-5-p-苯氧基-1,3-环戊二烯（4e）。这些化合物已通过元素分析、红外、核磁共振和质谱表征，并且在2c的情况下，还通过¹³C-CPMAS光谱和X射线粉末衍射法进行了表征。
• Manganese complexes of the pentaphenylcyclopentadienyl ligand
  作者：Leslie D. Field、Taian He、Paul Humphrey、Anthony F. Masters、Peter Turner

  DOI：10.1016/j.poly.2005.08.055

  日期：2006.5

  The preparation and characterisation of [Mn(eta(5)-C5Ph5)(CO)(3)] (1), [Mn(eta(5)-C5Ph5)(CO)(2)(PMe2Ph)] (2), and [Mn(eta(5)-C-5(p-tol)(5))(CO)(3)] (3) are described; these complexes are the first reported fully characterised C5Ar5- derivatives of Group 7. Compounds (1) and (3) are reversibly oxidised at +0.98 and +0.89 V, respectively (versus Fc(+/0)), significantly more positive than the oxidation of the analogous [Mn(eta(5)-C5H5)(CO)(3)]. Single crystal X-ray diffraction studies of (1) and (2) (refined to R-1(F) 0.0967, wR(2)(F-2) 0.2971 and R-1(F) 0.0472, wR(2)(F-2) 0.1356, respectively) are also reported. (C) 2005 Elsevier Ltd. All rights reserved.
• The preparation, crystal structure and some reaction chemistry of Bromo (η5-penta- phenylcyclopentadienyl) dicarbonylosmium (II) , [Os (η5-C5Ph5) (CO) 2Br]
  作者：L.D. Field、T.W. Hambley、P.A. Humphrey、A.F. Masters、P. Turner

  DOI：10.1016/s0277-5387(97)00448-8

  日期：1998.6

  The preparation and characterisation of [Os(eta(5)-C5Ph5)(CO)(2)Br] (1) are described;this complex is the first reported C5Ph5- derivative of osmium. A single crystal X-ray diffraction study of (1); (refined to R = 0.040, R-w = 0.043) is also reported. The related complexes, [Oseta(5)-C5Ph4(p-(BuC6H4)-Bu-i)}(CO)(2)Br] (2) and [Oseta(5)-C-5(p-MeC6H4)(5)} (CO)(2)Br] (3), have also been prepared. Carbonyl substitution of (1) in tetrahydrofuran following treatment with Me3NO afforded [Os(eta(5)-C5Ph5)(CO)(L)Br] (L=PMe2Ph (4), P(OEt)(3), (5), P(OCH2)(3)CCH3 (6) and (BuNC)-Bu-i (7)). A single crystal X-ray diffraction study of (6) (refined to R = 0.066, R-w = 0.073) is described. (C) 1998 Elsevier Science Ltd. All rights reserved.
• Field, Leslie D.; Masters, Anthony F.; Gibson, Michelle, Inorganic Chemistry, 1993, vol. 32, # 2, p. 211 - 217
  作者：Field, Leslie D.、Masters, Anthony F.、Gibson, Michelle、Latimer, Devin R.、Hambley, Trevor W.、Buys, Irmi E.

  DOI：——

  日期：——
• Broser,W. et al., Chemische Berichte, 1968, vol. 101, p. 69 - 83
  作者：Broser,W. et al.

  DOI：——

  日期：——