dibutyl(methylsulfonato)borane | 105223-12-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: dibutyl(methylsulfonato)borane
• 英文别名: Methansulfonsaeure-dibutylborylester；Dibutylboranyl methanesulfonate
• CAS: 105223-12-9
• 化学式: C₉H₂₁BO₃S
• 分子量: 220.141
• InChiKey: QLCNNDZCMGUNAK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.55
• 重原子数：
  14
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  甲烷磺酸 、 三丁基硼 生成 dibutyl(methylsulfonato)borane
  参考文献：
  名称：

  Boryl sulfonates, a new class of borylating agents

  摘要：

  DOI：

  10.1021/ja01036a064

文献信息

• Syntheses and solid-state structures of mono- and dialkyl(methylsulfonato)boranes
  作者：Rainer Papp、Fernando B. Somoza、Joachim Sieler、Steffen Blaurock、Evamarie Hey-Hawkins

  DOI：10.1016/s0022-328x(99)00204-1

  日期：1999.8

  R3B reacts with MeSO3H at elevated temperature in toluene to give liquid R2B(OSO2Me) [R = Et (la), 61%; R = Bu (Ib), 58%; R = Pr-i (Ic), 23%] and, in the case of Et3B and Bu3B, solid RB(OSO2Me)(2) [R = Et (2a), 13%; R = Bu (2b), 11%]. As (Pr3B)-B-i is less reactive, pivalic acid must be added as catalyst, and no formation of the disulfonatoborane is observed. Complexes la-e and 2a-b were characterised spectroscopically (IR,H-1-, C-13-, B-11-NMR), and crystal structure determinations were carried out on la, which is monomeric even in the solid state, and 2a and 2b, which are dimeric in the solid state and have two differently bonded sulfonate groups (terminal and bridging). (C) 1999 Elsevier Science S.A. All rights reserved.