8-(3-Bromophenyl)-2,2,4,4,6,6-hexamethyl-1,3,5,7,2,4,6,8-tetraoxatrisilaborocane | 658711-30-9

• 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: 8-(3-Bromophenyl)-2,2,4,4,6,6-hexamethyl-1,3,5,7,2,4,6,8-tetraoxatrisilaborocane
• 英文别名: 8-(3-bromophenyl)-2,2,4,4,6,6-hexamethyl-1,3,5,7,2,4,6,8-tetraoxatrisilaborocane
• CAS: 658711-30-9
• 化学式: C₁₂H₂₂BBrO₄Si₃
• 分子量: 405.276
• InChiKey: NFKWRKIVOSTNSI-UHFFFAOYSA-N

物化性质

• 沸点：
  300.1±44.0 °C(Predicted)
• 密度：
  1.20±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.33
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  36.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1,5-二氯六甲基三硅氧烷 、 3-溴苯硼酸 在 triethylamine 作用下， 以 乙醚 为溶剂， 以41%的产率得到8-(3-Bromophenyl)-2,2,4,4,6,6-hexamethyl-1,3,5,7,2,4,6,8-tetraoxatrisilaborocane
  参考文献：
  名称：

  Synthesis and characterisation of cyclo-boratetrasiloxane, (RBO)(Me2SiO)3 (R=nBu, Ar), derivatives

  摘要：

  Low temperature reactions of dilute solutions of 1,5-dichloro-1,1,3,3,5,5-hexamethyltrisiloxane with boronic acids {RB(OH)(2); R=(n)Bu, C(6)H(4)Me-2, C(6)H(4)Me-3, C(6)H(4)Me-4, C(6)H(4)OMe-3, C(6)H(4)OMe-4, C(6)H(4)Br-2, C(6)H(4)Br-3, C(6)H(4)Br-4} in the presence of a twofold excess of Et(3)N afforded the 8-membered ring products, cyclo-boratetrasiloxanes, (RBO)(Me(2)SiO)(3), in moderate yields. New compounds were colourless oils and were characterised by elemental analysis, NMR ((1)H, (11)B, (13)C, (29)Si), IR and MS. The cyclo-boratetrasiloxanes are weakly Lewis acidic, with acceptor number (AN) values of similar to30, but do not form adducts with amines. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(03)00478-9

文献信息

• Synthesis and characterisation of cyclo-boratetrasiloxane, (RBO)(Me2SiO)3 (R=nBu, Ar), derivatives
  作者：Michael A Beckett、Martin P Rugen-Hankey、K Sukumar Varma

  DOI：10.1016/s0277-5387(03)00478-9

  日期：2003.11

  Low temperature reactions of dilute solutions of 1,5-dichloro-1,1,3,3,5,5-hexamethyltrisiloxane with boronic acids RB(OH)(2); R=(n)Bu, C(6)H(4)Me-2, C(6)H(4)Me-3, C(6)H(4)Me-4, C(6)H(4)OMe-3, C(6)H(4)OMe-4, C(6)H(4)Br-2, C(6)H(4)Br-3, C(6)H(4)Br-4} in the presence of a twofold excess of Et(3)N afforded the 8-membered ring products, cyclo-boratetrasiloxanes, (RBO)(Me(2)SiO)(3), in moderate yields. New compounds were colourless oils and were characterised by elemental analysis, NMR ((1)H, (11)B, (13)C, (29)Si), IR and MS. The cyclo-boratetrasiloxanes are weakly Lewis acidic, with acceptor number (AN) values of similar to30, but do not form adducts with amines. (C) 2003 Elsevier Ltd. All rights reserved.