1-ethyl-3,4-di(1',2'-dicarba-closo-dodecahydrododecaboran-1'-ylmethoxy)benzoate | 618907-67-8

• 英文名称: 1-ethyl-3,4-di(1',2'-dicarba-closo-dodecahydrododecaboran-1'-ylmethoxy)benzoate
• CAS: 618907-67-8
• 化学式: C₁₅H₃₄B₂₀O₄
• 分子量: 494.653
• InChiKey: GZPWLABPLLJAOU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  四氢吡咯 、 1-ethyl-3,4-di(1',2'-dicarba-closo-dodecahydrododecaboran-1'-ylmethoxy)benzoate 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  Intra- and inter-molecular hydrogen bonding in some cobaltacarboranes

  摘要：

  Two novel and unsymmetrical commo-cobaltacarboranes which contain an intramolecular hydrogen bond between the dicarbollyl C-H and the nitrogen atom of a piperidine or pyrollidine substituent and two additional external hydrogen bond interactions. Each of the two dicarbollide ligands is monosubstituted at carbon, leaving one acidic carboranyl C-H in each dicarbollide ligand available for hydrogen bonding interactions. One of these interacts with the substituent on the other dicarbollide ligand while the other interacts more weakly with a solvent molecule. One of the two amine substituents is protonated, making the cobaltacarborane neutral, and the resulting ammonium hydrogen interacts with a solvent molecule. The mono-N-protonated piperidine and pyrollidine cobalt carborane derivatives 1 and 2, respectively, were characterized by X-ray diffraction studies. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/s0022-2860(03)00346-6
• 作为产物：
  描述：

  arachno-B10H12(SEt2)2 、 ethyl 3,4-dipropargyloxybenzoate 在 diethyl sulfide 作用下， 以 甲苯 为溶剂， 生成 1-ethyl-3,4-di(1',2'-dicarba-closo-dodecahydrododecaboran-1'-ylmethoxy)benzoate
  参考文献：
  名称：

  Intra- and inter-molecular hydrogen bonding in some cobaltacarboranes

  摘要：

  Two novel and unsymmetrical commo-cobaltacarboranes which contain an intramolecular hydrogen bond between the dicarbollyl C-H and the nitrogen atom of a piperidine or pyrollidine substituent and two additional external hydrogen bond interactions. Each of the two dicarbollide ligands is monosubstituted at carbon, leaving one acidic carboranyl C-H in each dicarbollide ligand available for hydrogen bonding interactions. One of these interacts with the substituent on the other dicarbollide ligand while the other interacts more weakly with a solvent molecule. One of the two amine substituents is protonated, making the cobaltacarborane neutral, and the resulting ammonium hydrogen interacts with a solvent molecule. The mono-N-protonated piperidine and pyrollidine cobalt carborane derivatives 1 and 2, respectively, were characterized by X-ray diffraction studies. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/s0022-2860(03)00346-6