difuchsone | 130830-03-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: difuchsone
• 英文别名: Perchloro-α,α'-diphenyl-α,α'-bis(4-oxacyclohexadienylydene)bi-p-tolyl；perchlorodifuchsone；2,3,5,6-Tetrachloro-4-[(2,3,4,5,6-pentachlorophenyl)-[2,3,5,6-tetrachloro-4-[2,3,5,6-tetrachloro-4-[(2,3,4,5,6-pentachlorophenyl)-(2,3,5,6-tetrachloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]phenyl]phenyl]methylidene]cyclohexa-2,5-dien-1-one
• CAS: 130830-03-4
• 化学式: C₃₈Cl₂₆O₂
• 分子量: 1410.19
• InChiKey: WLSWPSIWPPQIMX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  24.9
• 重原子数：
  66
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  difuchsone 在 四丁基氢氧化铵 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 生成 perchloro-α,α'-diphenyl-α,α'-bis(4-oxocyclohexylidenylidene)bi-p-tolyl diradical dianion
  参考文献：
  名称：

  On the hydroxide ion as a one-electron reductant in organic chemistry

  摘要：

  DOI：

  10.1021/jo00002a063
• 作为产物：
  描述：

  Perchloro-α-(4-oxacyclohexadienylidene)-α,α',α'-triphenylbi-p-tolyl-α'-yl 在 三氯化锑 、 氯 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以97%的产率得到difuchsone
  参考文献：
  名称：

  Spin-charge exchange in allodial radical ions, a novel intramolecular single electron transfer equilibrium

  摘要：

  The intramolecular single-electron transfer in radical anions and radical cations, constituted by two identical triphenylmethyl moieties, has been studied. The preparation of the radical ions has been effected by mixing the corresponding stable diions (tetra-n-butylammonium or hexachloroantimonate salts) and chemically inert diradicals: by partial oxidation of the dianion salts with iodine (radical anions) and by partial oxidation of the diradicals with SbCl5 (radical cations). The ESR C-13 hyperfine coupling constants and linewidths and UV-vis absorptivity spectra afford compelling evidence for a rapid spin-charge exchange equilibrium:(C6Cl5)2C-C6Cl4-Sp-C6Cl4-C(C6Cl5)2 = (C6Cl5)2C-C6Cl4-Sp-C6Cl4-C(C6Cl5)2(Sp = none, CH2CH2, C=C. * = -, +). Relevant structural aspects, such as steric inhibition of resonance, electron paths, and counterion involvement, are discussed. The synthesis and isolation of related disalts from the corresponding diradicals are also described.

  DOI：

  10.1021/jo00001a042

文献信息

• Syntheses and Spectra of Some Inert Triphenylmethyl Diradicals. A Concurrent Diradical Form
  作者：Manuel Ballester、Isabel Pascual、Conxita Carreras、Jose Vidal-Gancedo

  DOI：10.1021/ja00089a009

  日期：1994.5

  The synthesis and characterization of 11 inert diradicals of the perchlorotriphenylmethyl class, (p)R-C-6-Cl-4(C6Cl5)C-C6Cl4-Sp-C6Cl4-C(C6Cl5)-C6Cl4-R(p) where R is Cl, OH, or O- and Sp is a spacer chain from zero to nine atom links, are described. The ESR spectra of these species in solution from room temperature to -140 degrees C (glassy matrix) point to the concurrence of two isomeric diradical forms: the conventional species, displaying spin-spin dipolar interaction, and a form apparently devoid of it. The ESR C-13 hyperfine couplings, the magnetic susceptibility, and the IR and UV-vis spectra of these diradicals are described. Some related monoradicals and a triradical are also reported.
• BALLESTER, MANUEL;PASCUAL, ISABEL;RIERA, JUAN;CASTANER, JUAN, J. ORG. CHEM., 56,(1991) N, C. 217-225
  作者：BALLESTER, MANUEL、PASCUAL, ISABEL、RIERA, JUAN、CASTANER, JUAN

  DOI：——

  日期：——