1,4-phenylenebis(triphenylphosphonium) bromide | 10111-14-5

• 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: 1,4-phenylenebis(triphenylphosphonium) bromide
• 英文别名: 1,4-Bis-(triphenyphosphonio)-benzol-dibromid；1,4-bis-(triphenylphosphonia)benzene dibromide；[p-Ph3PC6H4PPh3]Br2；hexa-P-phenyl-P,P'-p-phenylene-di-phosphonium; dibromide；Hexa-P-phenyl-P,P'-p-phenylen-di-phosphonium; Dibromid；Triphenyl-(4-triphenylphosphaniumylphenyl)phosphanium;bromide
• CAS: 10111-14-5
• 化学式: 2Br*C₄₂H₃₄P₂
• 分子量: 760.487
• InChiKey: QQDIRYKTVLPBCY-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  3.93
• 重原子数：
  45
• 可旋转键数：
  8
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  [PPh4]2[B7H7] 、 1,4-phenylenebis(triphenylphosphonium) bromide 以 水 、 乙腈 为溶剂， 生成 [p-Ph3PC6H4PPh3][Ph4P]2[B7H7]2*6.5H2O
  参考文献：
  名称：

  Syntheses and Crystal Structures of the closo-Borates M₂[B₇H₇] and M[B₇H₈] (M = PPh₄, PNP, and N(n-Bu₄)): the Missing Crystal Structure in the Series [B_nH_n]²⁻ (n = 6−12)

  摘要：

  Oxidation of [N(n-Bu-4)](2)[B9H9] with oxygen in a mixture of dimethoxyethane and CH2Cl2 leads to salts of the [B7H7](2-) dianion. This is the first convenient synthesis for a seven-vertex hydro-closo-borate anion. Protonation with NEt3 center dot HCl resulted in salts of the [B7H8](-) monoanion. Both closo-borate anions were isolated and characterized by H-1, H-1{B-11}, B-11, and B-11{H-1} NMR spectroscopy. The temperature-dependent H-1{B-11}, B-11, and B-11{H-1} NMR spectra of [B7H8](-) were also measured. The structure of [B7H7](2-) as well as of [B7H8](-) were determined by single-crystal X-ray diffraction.

  DOI：

  10.1021/ic102434t
• 作为产物：
  描述：

  1,4-二溴苯 、 三苯基膦 生成 1,4-phenylenebis(triphenylphosphonium) bromide
  参考文献：
  名称：

  Aryl and aralkyl bistriphenylphosphonium compounds and processes

  摘要：

  公开号：

  US02862971A1

文献信息

• The chemistry of polyhalozirconates IV: The preparation of some diphosphonium hexachlorozirconates
  作者：I. Buscaglioni、H. Sutcliffe

  DOI：10.1016/0925-8388(92)90554-m

  日期：1992.7

  5 ) 2 ] 2 ZrCl 6 (III), [(C 6 H 5 ) 2 PCH 2 P(CH 3 )(C 6 H 5 ) 2 ] 2 ZrCl 6 (IV) [(C 6 H 5 ) 3 PCH 2 C 8 H 4 P(C 6 H 5 ) 3 ]ZrCl 6 (V) and [(C 5 H 5 ) 3 PC 6 H 4 P(C 6 H 4 ) 3 ]ZrCl 6 (VI) is described. Compound III shows an unexpected hydrolytic stability which is explained in steric terms. The 1 H and 3 P nuclear magnetic resonance spectra of these and related phosphine and simple phosphonium

  摘要 鏻盐的合成[(C 6 H 5 ) 3 PCH 2 P(H)(C 6 H 5 ) 2 ] 2 ZrCl 6 (III), [(C 6 H 5 ) 2 PCH 2 P(CH 3 )(C 6 H 5 ) 2 ] 2 ZrCl 6 (IV) [(C 6 H 5 ) 3 PCH 2 C 8 H 4 P(C 6 H 5 ) 3 ]ZrCl 6描述了(V)和[(C 5 H 5 ) 3 PC 6 H 4 P(C 6 H 4 ) 3 ]ZrCl 6 (VI)。化合物III显示出意想不到的水解稳定性，这可以用空间术语来解释。讨论了这些和相关膦盐和简单鏻盐的 1 H 和 3 P 核磁共振谱。
• Aryl and aralkyl bistriphenylphosphonium compounds and processes
  申请人：SEARLE &

  公开号：US02862971A1

  公开（公告）日：1958-12-02
• Syntheses and Crystal Structures of the <i>closo</i>-Borates M₂[B₇H₇] and M[B₇H₈] (M = PPh₄, PNP, and N(<i>n</i>-Bu₄)): the Missing Crystal Structure in the Series [B_<i>n</i>H_<i>n</i>]²⁻ (<i>n</i> = 6−12)
  作者：Florian Schlüter、Eduard Bernhardt

  DOI：10.1021/ic102434t

  日期：2011.3.21

  Oxidation of [N(n-Bu-4)](2)[B9H9] with oxygen in a mixture of dimethoxyethane and CH2Cl2 leads to salts of the [B7H7](2-) dianion. This is the first convenient synthesis for a seven-vertex hydro-closo-borate anion. Protonation with NEt3 center dot HCl resulted in salts of the [B7H8](-) monoanion. Both closo-borate anions were isolated and characterized by H-1, H-1B-11}, B-11, and B-11H-1} NMR spectroscopy. The temperature-dependent H-1B-11}, B-11, and B-11H-1} NMR spectra of [B7H8](-) were also measured. The structure of [B7H7](2-) as well as of [B7H8](-) were determined by single-crystal X-ray diffraction.
• Charge neutralization of the active site glutamates does not limit substrate binding and transport by small multidrug resistance transporter EmrE
  作者：Peyton J. Spreacker、Merissa Brousseau、Grant S. Hisao、Mohammad Soltani、James H. Davis、Katherine A. Henzler-Wildman

  DOI：10.1016/j.jbc.2022.102805

  日期：2023.2