CH3(CH2)7Bdd | 144625-05-8

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: CH3(CH2)7Bdd
• 英文别名: 4,8-di-tert-butyl-2,10-dimethyl-6-octyl-12H-dibenzo[d,g][1,3,2]dioxaborocine；4,8-ditert-butyl-2,10-dimethyl-6-octyl-12H-dibenzo[d,g][1,3,2]dioxaborocine
• CAS: 144625-05-8
• 化学式: C₃₁H₄₇BO₂
• 分子量: 462.524
• InChiKey: DDLHEFIIERRYHV-UHFFFAOYSA-N

物化性质

• 沸点：
  517.0±60.0 °C(predicted)
• 密度：
  0.97±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  9.11
• 重原子数：
  34.0
• 可旋转键数：
  7.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  18.46
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  2,2'-亚甲基双-(4-甲基-6-叔丁基苯酚) 在 bis[dichloro(pentamethylcyclopentadienyl)iridium(III)] 作用下， 以 甲苯 为溶剂， 生成 CH3(CH2)7Bdd
  参考文献：
  名称：

  [Cp*IrCl2]2 catalyzed hydroborations of alkenes using a bulky dioxaborocine

  摘要：

  4,8-Di-tert-butyl-2,10-dimethyl-12H-dibenzo[d,g][1,3,2] dioxaborocine (1) has been prepared in high yield by the addition of H3B center dot SMe2 to 6,6'-methylene(2-tert-butyl-4-methylphenol). Dioxaborocine 1 is a relatively stable solid that reacts with a variety of aliphatic alkenes in the presence of catalytic amounts of [Cp*IrCl2](2) to give the terminal hydroboration products. Analogous reactions with vinylarenes, however, afford the corresponding alkenylboronate esters along with equal amounts of the hydrogenation products. Boron products have been characterized by a number of physical and analytical methods, including single-crystal X-ray diffraction studies. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.09.051