9,10-bis(diisopropylphosphanyl)anthracene | 1038535-94-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 9,10-bis(diisopropylphosphanyl)anthracene
• 英文别名: 9,10-bis-diisopropylphosphanyl-anthracene；[10-di(propan-2-yl)phosphanylanthracen-9-yl]-di(propan-2-yl)phosphane
• CAS: 1038535-94-2
• 化学式: C₂₆H₃₆P₂
• 分子量: 410.519
• InChiKey: OMZASKBTYCEHOW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 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：

  9,10-bis(diisopropylphosphanyl)anthracene 在 sulfur 作用下， 以 甲苯 为溶剂， 反应 2.0h， 以87%的产率得到9,10-bis(diisopropylthiophosphoryl)anthracene
  参考文献：
  名称：

  Structural and Variable-Temperature NMR Studies of 9-Diisopropylphosphanylanthracenes and 9,10-Bis(diisopropylphosphanyl)anthracenes and Their Oxidation Products

  摘要：

  The diisopropylphosphanyl-substituted anthracenes i-Pr(2)P(C(14)H(9)) (1a), i-Pr(2)P(C(14)H(8))Br (2a), and (i-Pr(2)P)(2)(C(14)H(8)) (3a) and some of their oxidation products were prepared from 9-bromoanthracene and 9,10-dibromoanthracene, respectively. Low-temperature (1)H NMR spectra of the 9-monophosphanyl-substituted anthracenes la and 2a are in accordance with a staggered conformer, while above room temperature dynamic processes occur. The low-temperature NMR spectrum of the 9,10-diphosphanylanthracene 3a indicates the presence of two different rotational isomers. The rotational barrier for la was determined from variable-temperature (1)H NMR spectra to be 56 kJ mol(-1) (Delta G(298K)). The crystal structure determinations show the solid-state conformers to be consistent with the prevailing conformer at low temperature.

  DOI：

  10.1021/jo800294e
• 作为产物：
  描述：

  蒽 在 正丁基锂 作用下， 以 四氢呋喃 、 乙醚 、 正己烷 、 二氯甲烷 为溶剂， 反应 24.0h， 生成 9,10-bis(diisopropylphosphanyl)anthracene
  参考文献：
  名称：

  The synthesis of anthracene, and dipyridine salts as cations for DMIT complexes

  摘要：

  The synthesis of a series of cations for the preparation of [Ni(dmit)(2)](2) complexes is described. These cations are a series of 9,10-disubstituted anthracene derivatives with phosphane or alkylamine sustituents. Metal catalysed coupling reactions were used to prepare the 9,10-ethynylanthracene derivatives, one of which was subsequently methylated, using iodomethane as methylating reagent, to form cations for [Ni(dmit)(2)](2) salts. A range of salts were prepared using ferrocene and anthracene-based cations with [Ni(dmit)(2)](2) as the dianion. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2012.11.007