| 1586034-45-8

• 分子结构分类: 有机化合物 - 有机杂环化合物
• CAS: 1586034-45-8
• 化学式: C₃H₉B₃O₆
• 分子量: 176.501
• InChiKey: ZFMOJHVRFMOIGF-VMIGTVKRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.06
• 重原子数：
  12.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  55.38
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  、 二氧化碳-13C 以 四氢呋喃 为溶剂， 反应 2.5h， 生成
  参考文献：
  名称：

  Reduction of CO₂to Trimethoxyboroxine with BH₃in THF

  摘要：

  Commercially available THF solutions of BH3 center dot THF, which contain 0.5 mol % of NaBH4 as a stabilizing reagent for BH3 center dot THF, react with 1 atm of CO2 at room temperature to form trimethoxyboroxine, (MeOBO)(3), in 87% yield after 12 h. Since no reaction took place in the absence of NaBH4, NaBH4 was found to work as a promoter or catalyst for the reduction of CO2 with BH3 to the methoxy compound. A similar reaction using HCOONa in place of NaBH4 also gave (MeOBO)(3) in comparable yield.

  DOI：

  10.1021/om5008488

文献信息

• Carbene-9-BBN Ring Expansions as a Route to Intramolecular Frustrated Lewis Pairs for CO₂Reduction
  作者：Tongen Wang、Douglas W. Stephan

  DOI：10.1002/chem.201304870

  日期：2014.3.10

  Reactions of phosphine‐derived carbenes with 9‐borabicyclo[3.3.1]nonane (9‐BBN) result in ring‐expansion reactions to generate novel intramolecular frustrated Lewis pairs (FLPs). These FLPs effect the catalytic reduction of CO2 in the presence of boranes to give BOB and methoxy‐borate species.

  膦衍生的卡宾与9-borabicyclo [3.3.1]壬烷（9-BBN）的反应导致环扩环反应，从而生成新的分子内失意的Lewis对（FLP）。这些FLP在硼烷存在下影响CO 2的催化还原，生成BOB和甲氧基硼酸酯。