[(Li(THF)2)2(9,10-diboraanthracene) | 1254045-95-8

• 英文名称: [(Li(THF)2)2(9,10-diboraanthracene)
• CAS: 1254045-95-8
• 化学式: C₂₈H₄₂B₂Li₂O₄
• 分子量: 478.143
• InChiKey: XJVGIYLVHKZGPZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  四氢呋喃 、 9,10-dihydro-9,10-diboraanthracene 、 lithium 以 四氢呋喃 为溶剂， 生成 [(Li(THF)2)2(9,10-diboraanthracene)
  参考文献：
  名称：

  Dilithio 9,10-Diborataanthracene: Molecular Structure and 1,4-Addition Reactions

  摘要：

  9,10-Dihydro-9,10-diboraanthracene ([1](n)) and its SMe2 adduct 1(SMe2)(2) are readily reduced with lithium in THF to the dianionic 9,10-diborataanthracene Li-2[1]. An X-ray crystal structure analysis of (Li(thf)(2))(2)[1] revealed monomeric inverse sandwich complexes, each of them containing two Li(thf)(2) moieties coordinated to both sides of the central B2C4 ring. Compared to 9,10-dimethyl-9,10-dihydro-9,10-diboraanthracene, the four B-C-Ar bonds of (Li(thf)(2))(2)[1] are shorter by 0.046(4) angstrom, thereby indicating an increased degree of B=C-Ar double-bond character. Consequently,(Li(thf)2)2[1] reacts with 4,4' -dimethylbenzophenone as a B=C-Ar-C-Ar=B diene and undergoes a[4+2] cycloaddition reaction with formation of a bicyclic product. In contrast, tert-butylacetylene reacts with (Li(thf)(2))(2)[1]under formal 1,4-addition of its methinic C H group instead of its C C triple bond to the two boron atoms.

  DOI：

  10.1021/om100825m