2,6-(2,6-i-Pr2C6H3)2C6H3InInC6H3-2,6-(C6H3-2,6-i-Pr2)2 | 451445-09-3

• 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: 2,6-(2,6-i-Pr2C6H3)2C6H3InInC6H3-2,6-(C6H3-2,6-i-Pr2)2
• 英文别名: [(C6H3-2,6-(C6H3-2,6-(i-Pr)2)2)In]2
• CAS: 451445-09-3
• 化学式: C₆₀H₇₄In₂
• 分子量: 1024.89
• InChiKey: PBKBZZNJHQAVLT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.62
• 重原子数：
  62.0
• 可旋转键数：
  15.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  2,6-(2,6-i-Pr2C6H3)2C6H3InInC6H3-2,6-(C6H3-2,6-i-Pr2)2 、 三(五氟苯基)硼烷 以 甲苯 为溶剂， 以53.3%的产率得到2,6-(2,6-i-Pr2C6H3)2C6H3InB(C6F5)3
  参考文献：
  名称：

  The “Diindene” ArInInAr (Ar = C₆H₃-2,6-Dipp₂, Dipp = C₆H₃-2,6-Prⁱ₂). Dimeric versus Monomeric In(I) Aryls:  para-Substituent Effects in Terphenyl Ligands

  摘要：

  The synthesis and structure of a "diindene" with significant metal-metal bonding are described. It has an In-In distance of 2.9786(5) A, an In-In-C angle of 121.23(6) degrees , and an In-In bond order that is probably less than unity.

  DOI：

  10.1021/ja026285s
• 作为产物：
  描述：

  indium chloride 、 2,6-bis(2,6-diisopropylphenyl)phenyllithium 以 甲苯 为溶剂， 以36.2%的产率得到2,6-(2,6-i-Pr2C6H3)2C6H3InInC6H3-2,6-(C6H3-2,6-i-Pr2)2
  参考文献：
  名称：

  The “Diindene” ArInInAr (Ar = C₆H₃-2,6-Dipp₂, Dipp = C₆H₃-2,6-Prⁱ₂). Dimeric versus Monomeric In(I) Aryls:  para-Substituent Effects in Terphenyl Ligands

  摘要：

  The synthesis and structure of a "diindene" with significant metal-metal bonding are described. It has an In-In distance of 2.9786(5) A, an In-In-C angle of 121.23(6) degrees , and an In-In bond order that is probably less than unity.

  DOI：

  10.1021/ja026285s

文献信息

• Chalcogenide/Chalcogenolate Structural Isomers of Organo Group 13 Element Derivatives: Reactions of the Dimetallenes Ar′MMAr′ (Ar′ = C₆H₃-2,6-(C₆H₃-2,6-Pr<i>ⁱ</i>₂)₂; M = Ga or In) with N₂O or S₈ To Give (Ar′M^IIIE)₂ (E = O or S) and the Synthesis and Characterization of [Ar′EM^I]₂ (M = In or Tl; E = O, S)
  作者：Zhongliang Zhu、Robert J. Wright、Zachary D. Brown、Alexander R. Fox、Andrew D. Phillips、Anne F. Richards、Marilyn M. Olmstead、Philip P. Power

  DOI：10.1021/om900031v

  日期：2009.4.27

  1577(8) Å in 10] are observed. Low oxidation heavier group 13/group 16 chalcogenolate isomers 16−19 of formula [Ar′EM]2 (M = In or Tl, E = O or S) were also synthesized and characterized. In the +1 compounds [Ar′EIn]2 (O, 16; S, 19) together, with the In +3 species [Ar′InE]2 (O, 8; S, 10), represent the first structurally characterized isomeric pairs of organo group 13 metal/chalcogen derivatives. The E−M

  二聚体arylgallium /铟硫属化物7 - 10式[Ar'ME] 2（AR'= C 6 H ^ 3 -2,6- C（6 ħ 3 -2,6-PR我2）2 ; M = Ga或In通过用N 2 O或元素硫对Ar'MMAr'进行处理来合成E，O = S），并通过NMR光谱和X射线晶体学进行表征。它们的结构具有三坐标+3氧化态金属中心和平面M 2 E 2核。对于E = O，芯几乎是完美的正方形，但是对于E = S，它们在7 − 10中变形为平行四边形。所述M-E键长均较较高聚集物种[RME]短Ñ（Ñ ≥4），但与那些以M 3+芳氧基或硫醇盐具有三个坐标金属。短中号...中号分离[2.553（1）在7，2.8882（4）在8，2.8276埃（平均）9，和3.1577（8）一种在10 ]观察。低氧化较重组13 /组16 chalcogenolate异构体16 - 19式[Ar'EM] 2（M = In或Tl，E