1,4-diphenyl-2,3-di-p-tolyl-cyclopenta-1,3-diene | 344741-73-7

• 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: 1,4-diphenyl-2,3-di-p-tolyl-cyclopenta-1,3-diene
• 英文别名: 1,4-Diphenyl-2,3-di-p-tolyl-cyclopenta-1,3-dien；1-methyl-4-[5-(4-methylphenyl)-2,4-diphenylcyclopenta-1,4-dien-1-yl]benzene
• CAS: 344741-73-7
• 化学式: C₃₁H₂₆
• 分子量: 398.547
• InChiKey: RTRVEQHAPPRBBJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.23
• 重原子数：
  31.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  1,4-diphenyl-2,3-di-p-tolyl-cyclopenta-1,3-diene 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 四氯化碳 为溶剂， 生成 5-Brom-2,3-bis(4-methylphenyl)-1,4-diphenyl-1,3-cyclopentadien
  参考文献：
  名称：

  Blum, Wolfgang; Franke, Helga; Richter, Wilhelm J., Chemische Berichte, 1983, vol. 116, p. 2931 - 2935

  摘要：

  DOI：
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 哌啶 作用下， 生成 1,4-diphenyl-2,3-di-p-tolyl-cyclopenta-1,3-diene
  参考文献：
  名称：

  Electric Moments of Some Alkyl Phosphates and Thiophosphates

  摘要：

  DOI：

  10.1021/ja01623a021

文献信息

• Divalent Tetra- and Penta-phenylcyclopentadienyl Europium and Samarium Sandwich and Half-Sandwich Complexes: Synthesis, Characterization, and Remarkable Luminescence Properties
  作者：Rory P. Kelly、Toby D. M. Bell、Rosalind P. Cox、Daisy P. Daniels、Glen B. Deacon、Florian Jaroschik、Peter C. Junk、Xavier F. Le Goff、Gilles Lemercier、Agathe Martinez、Jun Wang、Daniel Werner

  DOI：10.1021/acs.organomet.5b00842

  日期：2015.12.14

  The synthesis of the bulky divalent (polyphenylcyclopentadienyl)lanthanoid sandwich complexes [Ln(C5Ph5)(2)] (Ln = Sm, Eu) and [Ln(C5Ph4H)(2)(solv)] (Ln = Sm, solv = thf; Ln = Eu, solv = dme)], from redox-transmetalation/protolysis (RTP) reactions, has been achieved. An analogous reaction with Yb afforded the solvent-separated ion pair [Yb(dme)(4)][C5Ph4H](2). In addition, rare divalent samarium halide complexes [Sm(C5Ph5)(mu-Br)(thf(2)](2) and [Sm(C5Ph4H)I(thf)(3)], were also prepared, either by RTP or ligand rearrangement. X-ray studies showed that the [Ln(C5Ph5)(2)] complexes adopt highly symmetrical sandwich structures, whereas the [Ln(C5Ph4H)(2)(solv)] complexes have open sandwich structures. The unexpected, but limited, solubility of the [Ln(C5Ph5)(2)] complexes allowed for variable-temperature NMR spectra of [Sm(C5Ph5)(2)] to be obtained. Detailed 1D and 2D NMR studies were conducted on [Sm(C5Ph4H)(2)(thf)] to ascertain its structure in donor and nondonor solvents. During the course of these studies, the mixed tetraarylcyclopentadienyl sandwich complex [SmC-5(2,5-Ph)(2)(3,4-p-tol(2))H}(2)(thf)] was also prepared in order to fully assign the spectrum of [Sm(C5Ph4H)(2)(thf)]. The europium sandwich complexes [Eu(C5Ph5)(2)] and [Eu(C5Ph4H)(3)(dme)] exhibit remarkable luminescence properties with high quantum yields (45% and 41%, respectively) coupled with long emission lifetimes (approximately 800 and 1300 ns, respectively) in toluene.
• Tetraarylcyclopentadienes¹
  作者：Louis Mehr、Ernest I. Becker、Paul E. Spoerri

  DOI：10.1021/ja01609a053

  日期：1955.2
• BLUM, W.;FRANKE, H.;RICHTER, W. J.;SCHWARZ, H., CHEM. BER., 1983, 116, N 8, 2931-2935
  作者：BLUM, W.、FRANKE, H.、RICHTER, W. J.、SCHWARZ, H.

  DOI：——

  日期：——