[2-(Me₂NCH₂)C₆H₄]SbBr₂ | 810677-85-1

• 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-(Me₂NCH₂)C₆H₄]SbBr₂
• 英文别名: [(2-(dimethylaminomethyl)phenyl)SbBr2]；1-(2-dibromostibanylphenyl)-N,N-dimethylmethanamine
• CAS: 810677-85-1
• 化学式: C₉H₁₂Br₂NSb
• 分子量: 415.759
• InChiKey: PXQATESIRZMBOW-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  2.23
• 重原子数：
  13.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  3.24
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  [2-(Me₂NCH₂)C₆H₄]SbBr₂ 、 溴 以 甲苯 为溶剂， 反应 2.0h， 以88%的产率得到[2-(Me₂NCH₂)C₆H₄]SbBr₄
  参考文献：
  名称：

  New hypercoordinated organoantimony(V) bromides. Synthesis and structural characterization

  摘要：

  The oxidative addition of bromine to [2-(Me2NCH2)C6H4]SbBr2 and [2-(Me2NCH2)C6H4]Ph2Sb resulted in the new hypercoordinated organoantimony(V) compounds [2-(Me2NCH2) C6H4]SbBr4 (1) and [2-(Me2NCH2)C6H4]Ph2SbBr2 (2), respectively. The new species were isolated as colourless solids and their solution behaviour was investigated by H-1 and C-13{H-1} NMR spectroscopy. Single-crystal X-ray diffraction studies evidenced strong N -> Sb intramolecular interactions in 1 and 2. While 2 has a monomeric structure, in the crystal of 1 the molecules are associated in polymeric chains by weak Br center dot center dot center dot H contacts. The ionic derivative [{2-(Me2NH+CH2)C6H4}Ph2SbBr2]Br-center dot CHCl3 (3 center dot CHCl3) was isolated as a hydrolysis product during our attempts to grow single-crystals of 2 from a n-hexane/CHCl3 mixture of solvents.

  DOI：

  10.33224/rrch.2020.65.6.09

文献信息

• Syntheses and chemistry of hypervalent cyclo-R4Sb4, cyclo-(RSbE)n[R = 2-(Me2NCH2)C6H4, E = O, S] and precursors
  作者：Laura M. Opris、Anca Silvestru、Cristian Silvestru、Hans J. Breunig、Enno Lork

  DOI：10.1039/b409866h

  日期：——

  The cyclostibane R4Sb4 (1) (R = 2-(Me2NCH2)C6H4) was synthesized by reduction of RSbCl2 with Mg in THF or with Na in liquid NH3. The reaction of 1 with [W(CO)5(THF)] gives the stibinidene complex RSb[W(CO)5]2 (2). RSbCl2 and (RSbCl)2E [E = O (6), E = S (8)] react with KOH or Na2S in toluene/water to give the heterocycles (RSbE)n [E = O, n = 3 (3); E = S, n = 2 (4)]. The chalcogeno-bridged compounds of the type (RSbCl)2E [E = O (6), E = S (8)] were synthesized by reaction of RSbCl2 with KOH or Na2S in toluene/water, but also by reaction of RSbCl2 with the heterocycles (RSbE)n. The compounds (RSbI)2O (7) and (RSbBr)2S (9) were prepared via halogen-exchange reactions between (RSbCl)2E and NaI (E = O) or KBr (E = S) or by reactions between RSbI2 and KOH or RSbBr2 and Na2S. The reaction of cyclo-(RSbS)2 with W(CO)5(THF) in THF results in trapping of the cis isomer in cyclo-(RSbS)2[W(CO)5] (5). The solution behaviour of the compounds was investigated by 1H and 13C NMR spectroscopy. The molecular structures of compounds 1–7 and 9 were determined by single-crystal X-ray diffraction.

  通过 RSbCl2 在 THF 中与 Mg 或 Na 在液态 NH3 中的还原反应，合成了环芪 R4Sb4 (1)（R = 2-(Me2NCH2)C6H4）。1 与[W(CO)5(THF)]反应后，得到亚锡双酚络合物 RSb[W(CO)5]2 (2)。RSbCl2 和 (RSbCl)2E [E = O (6)，E = S (8)]在甲苯/水中与 KOH 或 Na2S 反应，生成杂环 (RSbE)n [E = O，n = 3 (3)；E = S，n = 2 (4)]。通过 RSbCl2 与 KOH 或 在甲苯/水中的反应，以及 RSbCl2 与杂环 (RSbE)n 的反应，合成了 (RSbCl)2E [E = O (6)，E = S (8)]。化合物 (RSbI)2O (7) 和 (RSbBr)2S (9) 是通过 (RSbCl)2E 与 NaI（E = O）或 KBr（E = S）的卤素交换反应，或 RSbI2 与 KOH 或 RSbBr2 与 的反应制备的。环-(RSbS)2 与 W(CO)5(THF)在 THF 中的反应导致顺式异构体俘获在环-(RSbS)2[W(CO)5] (5)中。通过 1H 和 13C NMR 光谱研究了这些化合物的溶液特性。单晶 X 射线衍射测定了化合物 1-7 和 9 的分子结构。