9-[(9H-Fluoren-9-ylidene)phenylmethyl]-9H-fluorene | 14750-07-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 9-[(9H-Fluoren-9-ylidene)phenylmethyl]-9H-fluorene
• 英文别名: 1,1,3,3-Bis-biphenylen-2-phenylpropen；2-Phenyl-1,1,3,3-bis-biphenylen-propen-(1)；α,γ-bisdiphenylen-β-phenyl-propylen；α,γ-Bisdiphenylen-β-phenyl-allen；1,1,3,3(2)-Bis-biphenylen-2(1)-phenylpropen-(2)；2-Phenyl-1,3-bis-diphenylen-propen；9-[9H-fluoren-9-yl(phenyl)methylidene]fluorene
• CAS: 14750-07-3
• 化学式: C₃₃H₂₂
• 分子量: 418.538
• InChiKey: PNPTZHQXARQQNX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  33
• 可旋转键数：
  2
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.03
• 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：

  9-[(9H-Fluoren-9-ylidene)phenylmethyl]-9H-fluorene 生成 1-phenyl-spiro[cyclopenta[jk]fluorene-2,9'-fluorene]
  参考文献：
  名称：

  Nojima,M. et al., Journal of the Chemical Society. Perkin transactions I, 1978, p. 488 - 495

  摘要：

  DOI：
• 作为产物：
  描述：

  2,3-Dichlor-1,1,3,3-bis-biphenylen-propan 在 三乙胺 作用下， 以 四氢呋喃 、 乙醚 、 乙酸乙酯 为溶剂， 生成 9-[(9H-Fluoren-9-ylidene)phenylmethyl]-9H-fluorene
  参考文献：
  名称：

  Fischer,H.; Fischer,H., Chemische Berichte, 1964, vol. 97, p. 2975 - 2986

  摘要：

  DOI：

文献信息

• Kuhn,R. et al., Justus Liebigs Annalen der Chemie, 1962, vol. 654, p. 64 - 81
  作者：Kuhn,R. et al.

  DOI：——

  日期：——
• Plater, M. John; Kemp, Steven; Lattmann, Eric, Journal of the Chemical Society. Perkin transactions I, 2000, # 6, p. 971 - 980
  作者：Plater, M. John、Kemp, Steven、Lattmann, Eric

  DOI：——

  日期：——
• Characterization of the excited-state reactivity of a persistent aryl-substituted allyl free radical
  作者：David T. Breslin、Marye Anne Fox

  DOI：10.1021/j100152a045

  日期：1993.12

  A family of stable aryl-substituted allyl radicals 1 (9H-fluoren-9-yl-9-[9H-fluroren]-9-ylidenephenylmethyls) has been characterized by electronic absorption spectroscopy, semiempirical (AM 1) molecular orbital calculations, and cyclic voltammetry. Photolysis of 1a in aerated solvents that are poorer hydrogen atom sources than toluene resulted in oxygenation (phi(OX) approximately 5 X 10(-4)) and cleavage products. A thermally reversible photocyclization mechanism is proposed to explain the oxygenation of 1a in inert solvents. Enhanced excited-state reactivity toward hydrogen and halogen atom donors was observed during the steady-state photolysis of 1a. Electron transfer from naphthalene to an excited state of 1a produces an extremely short lived (< 30 ps) 1a anion/naphthalene radical cation geminate pair.
• �ber substituierte Bis-biphenylen-allyl-Radikale
  作者：Richard Kuhn、Alfred Neugebauer

  DOI：10.1007/bf00909246

  日期：——
• Water-Soluble Narrow-Line Radicals for Dynamic Nuclear Polarization
  作者：Olesya Haze、Björn Corzilius、Albert A. Smith、Robert G. Griffin、Timothy M. Swager

  DOI：10.1021/ja304918g

  日期：2012.9.5

  The synthesis of air-stable, highly water-soluble organic radicals containing a 1,3-bis(diphenylene)-2-phenylallyl (BDPA) core is reported. A sulfonated derivative, SA-BDPA, retains the narrow electron paramagnetic resonance linewidth (<30 MHz at 5 T) of the parent BDPA in highly concentrated glycerol/water solutions (40 mM), which enables its use as polarizing agent for solid effect dynamic nuclear polarization (SE DNP). A sensitivity enhancement of 110 was obtained in high-field magic-angle-spinning (MAS) NMR experiments. The ease of synthesis and high maximum enhancements obtained with the BDPA-based radicals constitute a major advance over the trityl-type narrow-line polarization agents.