2,4,6,8,9,10-hexamethyl-2,4,6,8,9,10-hexaboraadamantane | 50396-22-0

• 分子结构分类: 有机化合物
• 英文名称: 2,4,6,8,9,10-hexamethyl-2,4,6,8,9,10-hexaboraadamantane
• 英文别名: 2,4,6,8,9,10-Hexamethyl-2,4,6,8,9,10-hexabora-adamantan；2,4,6,8,9,10-Hexamethyl-2,4,6,8,9,10-hexaboratricyclo[3.3.1.13,7]decane
• CAS: 50396-22-0
• 化学式: C₁₀H₂₂B₆
• 分子量: 207.151
• InChiKey: UFZHNAPMCPHBHF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.57
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  三甲基硼 生成 2,4,6,8,9,10-hexamethyl-2,4,6,8,9,10-hexaboraadamantane
  参考文献：
  名称：

  笼式化合物（BMe）6（CH）4

  摘要：

  BMe 3的密闭热解使化合物（BMe）6（CH）4的分离产率为25％；nmr证据表明，有六个当量的BMe和四个当量的CH基团，并且在硼碳笼中提出了类似金刚烷的结构。

  DOI：

  10.1039/c39730000532

文献信息

• Pyrolysis of trimethylborane. Part 2. Formation of carbaboranes and other boron-containing compounds
  作者：Michael P. Brown、A. Kenneth Holliday、G. Martin Way、R. Brian Whittle、Colin M. Woodard

  DOI：10.1039/dt9770001862

  日期：——

  The pyrolysis of BMe3 has been studied by gas chromatography and mass spectrometry; effects of varying the pyrolysis time and temperature have been investigated. Compounds formed include BMe2Et, Me2BCH2BMe2, carbaboranes Me3B3C2H2, Me5B5C2H2, and 2,4,6,8,9,10-hexamethyl-2,4,6,8,9,10-hexabora-adamantane (Me6B6C4H4). The pyrolysis of BMe3–H2 mixtures, in marked contrast to that of pure BMe3, gives a

  已经通过气相色谱和质谱研究了BMe 3的热解。研究了改变热解时间和温度的影响。形成的化合物包括BMe 2 Et，Me 2 BCH 2 BMe 2，甲碳硼烷Me 3 B 3 C 2 H 2，Me 5 B 5 C 2 H 2和2,4,6,8,9,10-六甲基-2， 4,6,8,9,10-六硼烷-金刚烷（Me 6 B 6 C 4 H 4）。BMe 3 -H 2的热解混合物与纯BMe 3的混合物形成鲜明对比，以高总收率（60-66％）得到式Me x H （5 – x） B 5 C 2 H 2（x = 2–5）的甲碳硼烷的混合物。。在D 2，C 2 H 6和HgMe 2的存在下BMe 3的热解提供了甲基参与反应的证据。
• Pyrolysis of trimethylborane. Part I. The preparation and properties of 2,4,6,8,9,10-hexamethyl-2,4,6,8,9,10-hexabora-adamantane
  作者：Michael P. Brown、A. Kenneth Holliday、G. Martin Way

  DOI：10.1039/dt9750000148

  日期：——

  The preparation of 2,4,6,8,9,10-hexamethyl-2,4,6,8,9,10-hexabora-adamantane, (MeB)6(CH)4, in high yield (ca. 25%) by pyrolysis of BMe3 is described. Degradation of the boron–carbon cage occurs in reactions of (MeB)6(CH)4 with oxygen, propanoic acid, and ammonia but no reaction occurs with water. It behaves as only a weak acceptor towards the donors, NMe3, PMe3, and PMe2Ph, and stable complexes could

  高产率（约25％）制备2,4,6,8,9,10-六甲基-2,4,6,8,9,10-六硼烷-金刚烷（MeB）6（CH）4）描述了通过BMe 3的热解。硼碳笼的降解发生在（MeB）6（CH）4与氧气，丙酸和氨的反应中，但没有与水发生反应。它仅表现为对供体NMe 3，PMe 3和PMe 2 Ph的弱受体，并且在室温下无法分离出稳定的络合物。
• Formation of carboranes by pyrolysis of trimethylborane
  作者：M. P. Brown、A. K. Holliday、G. M. Way

  DOI：10.1039/c39720000850

  日期：——

  Pyrolysis of trimethylborane at 475–520 °C yields Me2BCH2BMe2 and the carboranes C2H2(BMe)3 and C4H4(BMe)6; mass spectral evidence suggests also the formation of (MeBCH2)3 and (MeBCH2)4 and other less-volatile carboranes.

  三甲基硼烷在475–520°C的温度下热解生成Me 2 BCH 2 BMe 2和碳硼烷C 2 H 2（BMe）3和C 4 H 4（BMe）6。质谱证据也表明（MeBCH 2）3和（MeBCH 2）4以及其他难挥发的碳硼烷的形成。
• Crystal structure of 2,4,6,8,9,10-hexamethyl-2,4,6,8,9,10-hexabora-adamantane
  作者：Ivan Rayment、Harrison M. M. Shearer

  DOI：10.1039/dt9770000136

  日期：——

  Crystals of the title compound are orthorhombic, with a= 16.184(1), b= 13.251 (1), c= 6.999(1)Å, Z= 4, space group Pnma. The structure was solved by the symbolic-addition procedure and refined by the method of least squares to R 0.06 for 639 observed reflections. The molecules have an adamantane-like structure with four carbon atoms lying near the corners of a tetrahedron and the six BMe groups lying

  标题化合物的晶体为正交晶，a = 16.184（1），b = 13.251（1），c = 6.999（1）Å，Z = 4，空间群Pnma。该结构通过符号加法求解，并通过最小二乘法对639个观察到的反射进行精化，使其R值为0.06。这些分子具有类似金刚烷的结构，其中四个碳原子位于四面体的角附近，六个BMe基位于边缘上方。分子对称性接近3 m，平均B–C距离为1.564Å。
• Goubeau; Epple, Chemische Berichte, 1957, vol. 90, p. 171,173
  作者：Goubeau、Epple

  DOI：——

  日期：——