B,B'-dimesityl-B,B'-dimethoxydiborane(4) | 141850-69-3

• 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: B,B'-dimesityl-B,B'-dimethoxydiborane(4)
• 英文别名: methoxy-[methoxy-(2,4,6-trimethylphenyl)boranyl]-(2,4,6-trimethylphenyl)borane
• CAS: 141850-69-3
• 化学式: C₂₀H₂₈B₂O₂
• 分子量: 322.063
• InChiKey: GWJLTCHORRDUPA-UHFFFAOYSA-N

物化性质

• 沸点：
  398.7±52.0 °C(Predicted)
• 密度：
  0.96±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.01
• 重原子数：
  24.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  18.46
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  B,B'-dimesityl-B,B'-dimethoxydiborane(4) 以 正己烷 为溶剂， 生成 B,B'-di(tert-butylphosphino)-B,B'-dimesityldiborane(4)
  参考文献：
  名称：

  Hommer, Herbert; Noeth, Heinrich; Knizek, Joerg, European Journal of Inorganic Chemistry

  摘要：

  DOI：
• 作为产物：
  描述：

  mesityllithium 在 HCl 作用下， 以 乙醚 为溶剂， 生成 B,B'-dimesityl-B,B'-dimethoxydiborane(4)
  参考文献：
  名称：

  Hommer, Herbert; Noeth, Heinrich; Knizek, Joerg, European Journal of Inorganic Chemistry

  摘要：

  DOI：

文献信息

• Synthesis and characterization of compounds with boron-boron double bonds
  作者：Philip P. Power

  DOI：10.1016/s0020-1693(00)92388-0

  日期：1992.8

  non-planar precursors) consistent with the formation of a π-bond between the boron centers. Their 11 B NMR spectra display peaks that are shifted upfield relative to the starting compounds. In the case of the amido derivative, two B-N π-bonds were cleaved in the reduction process. The electronic absorption spectrum of this compound in Et 2 O displays an intense absorption at 320 nm which may be attributed

  摘要乙硼烷（4）衍生物Mes 2 BB（Mes）Ph和Me 2 N（Ph）BB（Ph）NMe 2易于与锂粉在乙醚中反应，生成双还原的盐[（Et 2 O）Li} 2 Mes 2 BB（Mes）Ph]和[（Et 2 O）Li} 2 Me 2 N（Ph）BB（Ph）NMe 2]。两种物质都被分离为红色晶体，已通过X射线晶体学，11 B NMR和电子光谱进行了表征。结构数据表明，与地层一致的B planar-B距离接近1.63 A的平面或几乎平面的B 2 C 4或B 2 C 2 N 2核（比照中性非平面前体的B nearB = 1.71 A）硼中心之间的π键。他们的11 B NMR谱图显示了相对于起始化合物向高场偏移的峰。在酰胺衍生物的情况下，在还原过程中裂解了两个BNπ键。该化合物在Et 2 O中的电子吸收光谱在320 nm处显示出强烈的吸收，这可能归因于BBπ键的π-π*跃迁。这表明该键的强度约为40kcal
• Comparison of B–B π-bonding in singly reduced and neutral diborane (4) derivatives: isolation and structure of [{Li(Et₂O)₂}{MeO(mes)BB(mes)OMe}]
  作者：Warren J. Grigsby、Philip P. Power

  DOI：10.1039/cc9960002235

  日期：——

  A single-crystal X-ray diffraction study of [Li(Et(2)O)(2)}-MeO(mes)BB(mes)OMe}] 1 (mes = C(6)H(2)Me(3)-2,4,6) allows the first structural comparison between singly reduced and neutral diborane(4) species; compound 1 features a shortened B-B bond distance of 1.636(7) Angstrom which may be compared to the 1.724(9) Angstrom observed in the neutral precursor MeO(mes)BB(mes)OMe 2 and a distance of 1.62-1.64 Angstrom observed in related doubly reduced [R(2)BBR(2)](2-) species; the B-B bond in 1, which has a formal pi-bond order of 0.5, is thus similar in length to that found in the doubly reduced diborane(4) dianions that possess a formal B-B pi-bond order of unity.
• Enhanced thermal stability in organodiborane(4) compounds: synthesis and structural characterization of MeO(Mes)BB(Mes)OMe, Mes2BB(Mes)OMe, Mes2BB(Mes)Ph, and Mes2BB(Mes)CH2SiMe3 (Mes = 2,4,6-Me3C6H2)
  作者：Afarin Moezzi、Marilyn M. Olmstead、Ruth A. Bartlett、Philip P. Power

  DOI：10.1021/om00043a019

  日期：1992.7

  A series of organo-substituted diborane(4) compounds have been prepared and characterized by X-ray crystallography and NMR spectroscopy. The compounds MeO(Mes)BB(Mes)OMe (1), Mes2BB(Mes)OMe (2), Mes2BB(Mes)Ph (3), and Mes2BB(Mes)CH2SiMe3 (4) were synthesized by the reaction of the stable precursor species B2(OMe)4 with the appropriate organolithium reagent. All the compounds are thermally stable, air- and moisture-sensitive, colorless crystalline solids. Moreover, the species 3 and 4 exhibit significantly enhanced thermal stability in comparison to previously reported tetraalkyldiborane(4) derivatives. The X-ray structures of 3 and 4 represent the first structural reports for tetraorganodiborane(4) species. Crystal data with Mo K-alpha (lambda = 0.710 69 angstrom) radiation at 130 K are as follows: 1, MeO(Mes)BB(Mes)OMe, a = 8.324 (2) angstrom, b = 14.744 (3) angstrom, c = 15.395 (5) angstrom, Z = 4, orthorhombic, space group Pc2(1)b, R = 0.059 for 1488 (I > 2-sigma(I)) data; 2, Mes2BB(Mes)OMe.0.5C5H12, a = 8.666 (10) angstrom, b = 12.500 (13) angstrom, c = 13.858 (16) angstrom, alpha = 109.90 (8)-degrees, beta = 100.51 (8)-degrees, gamma = 99.68 (8)-degrees, Z = 2, triclinic, space group P1BAR, R = 0.090 for 1554 (I > 2-sigma(I)) data; 3, MeS2BB(Mes)Ph, a = 8.911 (3) angstrom, b = 12.142 (3) angstrom, c = 13.961 (3) angstrom, alpha = 104.04 (2)-degrees, beta = 93.88 (3)-degrees, gamma = 107.86 (2)-degrees, Z = 2, triclinic, space group P1BAR, R = 0.075 for 1834 (I > 2-sigma(I)) data; 4, MeS2BB(Mes)CH2SiMe3, a = 12.221 (8) angstrom, b = 15.880 (7) angstrom, c = 16.152 (6) angstrom, alpha = 112.26 (3)-degrees, beta = 93.96 (4)-degrees, gamma = 89.97 (4)-degrees, Z = 4 (two independent molecules), triclinic, space group P1BAR, R = 0.087 for 2445 (I > 2-sigma(I)) data.