TlMes3 | 187877-83-4

• 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: TlMes3
• CAS: 187877-83-4
• 化学式: C₂₇H₃₃Tl
• 分子量: 561.942
• InChiKey: FFKJURIVHIJGLR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.86
• 重原子数：
  28
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 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：

  TlMes3 、 氯化铊 以 甲苯 为溶剂， 以79%的产率得到[(Mes2TlCl)(MesTlCl2)]
  参考文献：
  名称：

  Organothalliumhalogenide

  摘要：

  AbstractOrganothallium HalidesWhen TlCl3 was reacted with cHexMgCl in THF, the triorganothallane TlcHex3 (1) could be obtained. The reaction of TlCl3 with PhLi in Et2O solution at 0 °C gave after workup the insoluble colorless solid Ph2TlCl (2). 2 was refluxed in pyridine. During cooling of the hot suspension colorless small crystals of [Ph2Tl(Py)2Cl]n (3) were formed. TlMes3 and TlCl3 in the molar ration 2:1 reacted in toluene at 20 °C to give the salt (TlMes2)[MesTlCl3] (4). The treatment of TlBr with MesMgBr solution (molar ratio 2:1) in THF/toluene lead to a suspension of MesTlBr2 and Tl. The suspension was refluxed in pyridine. After cooling of the solution, colorless crystals of [MesTlBr2(Py)2]·Py (5) could be isolated. 1 and 3–5 were characterized by NMR and MS techniques and in the case of 3 by vibrational spectroscopy. In addition X‐ray structure determinations of 3 ‐ 5 were performed. According to this the structure of 3 can be understood in two ways: 3 consists of polymeric linear chains along [001] buildt‐up by square planar [TlPh4]− and [Tl(Py)4]3+ units connected by Cl− ions. This would mean a description as [{TlPh4Cl}{Tl(Py)4Cl}]n. The disorder phenomena in 3 would allow the second explanation, the formation of chains [Ph2Tl(Py)2Cl]n. The unit cell of 4 contains zig‐zag chains of four‐membered rings consisting of linear (TlMes2)+ units and distorted tetrahedrons of [MesTlCl3]− ions. All chloro ligands in 4 are μ‐bridging forming Tl2Cl2 four‐membered rings and Tl‐Cl‐Tl sequences. In 5, molecular units of [MesTlBr2(Py)2] are present. The thallium atoms possess a trigonal bipyramidal environment.

  DOI：

  10.1002/zaac.200600092
• 作为产物：
  描述：

  氯化铊 、 magnesium,1,3,5-trimethylbenzene-6-ide,bromide 以 四氢呋喃 为溶剂， 以56.1%的产率得到TlMes3
  参考文献：
  名称：

  Synthese und Eigenschaften von Trimesitylthallium. Ein Vergleich der Trimesitylelement-Verbindungen der 13. Gruppe

  摘要：

  AbstractDie Reaktion von TlCl3 mit MesMgBr (Mes = 2,4,6‐Me3C6H2) in THE bei 0°C liefert Trimesitylthallium, TlMes3 (2). 2 wurde mittels NMR‐ und IR‐Spektroskopie bzw. Massenspektrometrie untersucht. Die Röntgenstrukturanalyse ergab ein isostrukturell zu InMes3 (1 a) kristallisierendes Molekül, dessen Tl‐Zentrum planar von den drei Mesitylsubstituenten umgeben ist. Durch Kristallisation aus Toluol/n‐Pentan konnte eine neue Modifikation des In‐Mes3 (1 b) erhalten werden, die im Gegensatz zu 1 a und 2 (P21/n) in der Raumgruppe C2/c kristallisiert, wobei die Moleküle von 1 b C2‐Symmetrie besitzen. Die Trimesitylelement‐Verbindungen EMes3 (E = B, Al, Ga, In, Tl) werden miteinander verglichen.

  DOI：

  10.1002/zaac.19976230150

文献信息

• (TlMes2)[BF4] – Ein Salz mit linearem (Mes-Tl-Mes)+-Ion
  作者：Istemi Kuzu、Bernhard Neumüller

  DOI：10.1002/zaac.200700033

  日期：2007.6

  (TlMes2)[BF4] – A Salt with the Linear Cation (Mes-Tl-Mes)+ TlMes3 was reacted with [BF3(OEt2)] in Et2O at 20 °C to give (TlMes2)[BF4] (1). 1 was characterized by NMR techniques, IR spectroscopy as well as by an X-ray structure determination. According to this, 1 is built-up by ifinite chains of cations and anions along [001]. The linear cations are rotated 90° to each other along the chains due to

  (TlMes2)[BF4] – 具有线性阳离子 (Mes-Tl-Mes)+ TlMes3 的盐在 20 °C 的 Et2O 中与 [BF3(OEt2)] 反应生成 (TlMes2)[BF4] (1)。1 通过核磁共振技术、红外光谱以及 X 射线结构测定进行表征。据此，1 由沿 [001] 的无限阳离子和阴离子链构成。由于 [BF4]- 离子的配位，线性阳离子沿链相互旋转 90°。
• Organothalliumhalogenide
  作者：Istemi Kuzu、Bernhard Neumüller

  DOI：10.1002/zaac.200600092

  日期：2006.7

  AbstractOrganothallium HalidesWhen TlCl3 was reacted with cHexMgCl in THF, the triorganothallane TlcHex3 (1) could be obtained. The reaction of TlCl3 with PhLi in Et2O solution at 0 °C gave after workup the insoluble colorless solid Ph2TlCl (2). 2 was refluxed in pyridine. During cooling of the hot suspension colorless small crystals of [Ph2Tl(Py)2Cl]n (3) were formed. TlMes3 and TlCl3 in the molar ration 2:1 reacted in toluene at 20 °C to give the salt (TlMes2)[MesTlCl3] (4). The treatment of TlBr with MesMgBr solution (molar ratio 2:1) in THF/toluene lead to a suspension of MesTlBr2 and Tl. The suspension was refluxed in pyridine. After cooling of the solution, colorless crystals of [MesTlBr2(Py)2]·Py (5) could be isolated. 1 and 3–5 were characterized by NMR and MS techniques and in the case of 3 by vibrational spectroscopy. In addition X‐ray structure determinations of 3 ‐ 5 were performed. According to this the structure of 3 can be understood in two ways: 3 consists of polymeric linear chains along [001] buildt‐up by square planar [TlPh4]− and [Tl(Py)4]3+ units connected by Cl− ions. This would mean a description as [TlPh4Cl}Tl(Py)4Cl}]n. The disorder phenomena in 3 would allow the second explanation, the formation of chains [Ph2Tl(Py)2Cl]n. The unit cell of 4 contains zig‐zag chains of four‐membered rings consisting of linear (TlMes2)+ units and distorted tetrahedrons of [MesTlCl3]− ions. All chloro ligands in 4 are μ‐bridging forming Tl2Cl2 four‐membered rings and Tl‐Cl‐Tl sequences. In 5, molecular units of [MesTlBr2(Py)2] are present. The thallium atoms possess a trigonal bipyramidal environment.
• Synthese und Eigenschaften von Trimesitylthallium. Ein Vergleich der Trimesitylelement-Verbindungen der 13. Gruppe
  作者：Janet Bl�mel、Bert Werner、Thomas Kr�uter、Bernhard Neum�ller

  DOI：10.1002/zaac.19976230150

  日期：——

  AbstractDie Reaktion von TlCl3 mit MesMgBr (Mes = 2,4,6‐Me3C6H2) in THE bei 0°C liefert Trimesitylthallium, TlMes3 (2). 2 wurde mittels NMR‐ und IR‐Spektroskopie bzw. Massenspektrometrie untersucht. Die Röntgenstrukturanalyse ergab ein isostrukturell zu InMes3 (1 a) kristallisierendes Molekül, dessen Tl‐Zentrum planar von den drei Mesitylsubstituenten umgeben ist. Durch Kristallisation aus Toluol/n‐Pentan konnte eine neue Modifikation des In‐Mes3 (1 b) erhalten werden, die im Gegensatz zu 1 a und 2 (P21/n) in der Raumgruppe C2/c kristallisiert, wobei die Moleküle von 1 b C2‐Symmetrie besitzen. Die Trimesitylelement‐Verbindungen EMes3 (E = B, Al, Ga, In, Tl) werden miteinander verglichen.