tris(2,6-dimethylphenyl)stibine | 77900-40-4

• 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: tris(2,6-dimethylphenyl)stibine
• 英文别名: tris(2,6-dimethylphenyl)antimony；Tris(2,6-dimethylphenyl)stibane
• CAS: 77900-40-4
• 化学式: C₂₄H₂₇Sb
• 分子量: 437.228
• InChiKey: NQQRNYJHDCIHNF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.05
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 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：

  tris(2,6-dimethylphenyl)stibine 在 Br₂ 作用下， 以 二氯甲烷 为溶剂， 生成 bis(mesityl)antimony thiocyanate
  参考文献：
  名称：

  Tri- and di-arylantimony(V) thiocyanates and mixed halide thiocyanates; crystal structure of triphenylantimony(V) di-isothiocyanate

  摘要：

  A series of triarylantimony(V) dithiocyanates has been prepared by oxidising the appropriate antimony(III) compound with thiocyanogen. IR and N-14 NMR spectroscopy indicate the presence of terminally N-bonded thiocyanate groups and this has been confirmed by a crystal structure determination for the SbPh(3)(NCS)(2). The asymmetric unit contains three independent trigonal bipyramidal molecules, which differ in the orientations of the axial N-bonded thiocyanates and the phenyl groups in the equatorial plane, and there may be weak C-H ... S interactions.Treatment of SbPh(2)X(3), where X = Br or Cl, with KSCN gave K[SbPh(2)(NCS)(4)] and attempts to prepare SbPh(2)(NCS)(3) and related diphenylantimony(V) mixed halide thiocyanates, SbPh(2)X(4)(NCS)(3-n) where X = Br or Cl and n = 0-2, by treating appropriate diphenylantimony(III) precursors with thiocyanogen or thiocyanogen bromide or chloride gave products which in many cases underwent reorganisation during recrystallisation. Samples of SbPh(2)(NCS)(3), SbPh(2)Br(NCS)(2), SbPh(2)Br(2)(NCS) and SbPh(2)Br(2)(NCS), and SbPh(3)Br(NCS) have, however, been isolated as microcrystalline solids.

  DOI：

  10.1016/0022-328x(95)05775-k
• 作为产物：
  描述：

  三氯化锑 、 2,6-xylyllithium 以 not given 为溶剂， 生成 tris(2,6-dimethylphenyl)stibine
  参考文献：
  名称：

  Tri- and di-arylantimony(V) thiocyanates and mixed halide thiocyanates; crystal structure of triphenylantimony(V) di-isothiocyanate

  摘要：

  A series of triarylantimony(V) dithiocyanates has been prepared by oxidising the appropriate antimony(III) compound with thiocyanogen. IR and N-14 NMR spectroscopy indicate the presence of terminally N-bonded thiocyanate groups and this has been confirmed by a crystal structure determination for the SbPh(3)(NCS)(2). The asymmetric unit contains three independent trigonal bipyramidal molecules, which differ in the orientations of the axial N-bonded thiocyanates and the phenyl groups in the equatorial plane, and there may be weak C-H ... S interactions.Treatment of SbPh(2)X(3), where X = Br or Cl, with KSCN gave K[SbPh(2)(NCS)(4)] and attempts to prepare SbPh(2)(NCS)(3) and related diphenylantimony(V) mixed halide thiocyanates, SbPh(2)X(4)(NCS)(3-n) where X = Br or Cl and n = 0-2, by treating appropriate diphenylantimony(III) precursors with thiocyanogen or thiocyanogen bromide or chloride gave products which in many cases underwent reorganisation during recrystallisation. Samples of SbPh(2)(NCS)(3), SbPh(2)Br(NCS)(2), SbPh(2)Br(2)(NCS) and SbPh(2)Br(2)(NCS), and SbPh(3)Br(NCS) have, however, been isolated as microcrystalline solids.

  DOI：

  10.1016/0022-328x(95)05775-k

文献信息

• Preparation and crystal structures of diphenylantimony(III) thiocyanate and bis(2,6-dimethylphenyl)antimony(III) thiocyanate
  作者：Glynis E. Forster、Michael J. Begley、D. Bryan Sowerby

  DOI：10.1039/dt9950000377

  日期：——

  Diphenylantimony(III) and bis(2,6-dimethylphenyl)antimony(III) thiocyanates have been prepared by metathesis reactions between the appropriate diarylantimony(III) halide and potassium thiocyanate in acetonitrile solution. The second compound was also obtained by thermal decomposition of tris(2,6-dimethylphenyl)antimony(V) dithiocyanate. Crystal structure determinations showed that in SbPh2(NCS) the

  通过在乙腈溶液中适当的二芳基锑（III）卤化物和硫氰酸钾之间的复分解反应制备了二苯基锑（III）和双（2,6-二甲基苯基）锑（III）硫氰酸盐。第二化合物也通过三（2，6-二甲基苯基）锑（V）二硫氰酸盐的热分解而获得。晶体结构测定表明，在SbPh 2（NCS）中，硫氰酸酯基团在锑中心之间架桥，得到无限的聚合物，而2,6-二甲基取代的类似物为N键合的单体。二苯基锑结构可能是独特的，因为不对称单元由三个分子式单元组成，尽管每个硫氰酸酯基团是桥接的，但两个主要是N键合的，而第三个主要是S键合的。桥接氮的角度大（150.4–174.9°），而硫的角度接近90°（85.7–98.6°）。这些与在锑的伪三角形-双锥体排列的轴向位置上存在的硫氰酸酯基团结合在一起，导致聚合物链产生奇怪的“三角形螺旋”结构。
• Tunable Pnictogen Bonding at the Service of Hydroxide Transport across Phospholipid Bilayers
  作者：Brendan L. Murphy、François P. Gabbaï

  DOI：10.1021/jacs.4c00202

  日期：2024.3.20

  hydroxide anion to the antimony center. Supporting this interpretation, 1 and 2 quickly react with TBAOH·30 H2O ([TBA]+ = [nBu4N]+) to form the corresponding hydroxoantimonate salts [nBu4N][1-OH] and [nBu4N][2-OH], whereas 3 resists hydroxide coordination and remains unperturbed. Moreover, the hydroxide transport activities of 1 and 2 are correlated to the +V oxidation state of the antimony atom as the parent

  我们对基于 pnictogen 的阴离子传输策略的设计越来越感兴趣，这促使我们对通式 ( o -C 6 Cl 4 O 2 )SBAr 3的三种简单三芳基儿茶酚替硼烷 ( 1 – 3 ) 的性质进行了研究，其中 Ar = Ph ( 1 )、邻甲苯基 ( 2 ) 和邻二甲苯基 ( 3 ) 用于氢氧化物跨磷脂双层的络合和运输。在人工脂质体中进行的改良羟基芘-1,3,6-三磺酸 (HPTS) 测定表明， 1和2是有效的氢氧化物转运蛋白，而3则无活性。这些结果表明，三个邻二甲苯基所施加的空间位阻阻止了氢氧根阴离子接近锑中心。支持这一解释的是， 1和2快速与 TBAOH·30 H 2 O ([TBA] + = [ n Bu 4 N] + ) 反应，形成相应的羟基锑酸盐 [ n Bu 4 N][ 1 -OH] 和 [ n Bu 4 N][ 2 -OH]，而3抵抗氢氧化物配位并且保持不受干扰。此外， 1和