| 217790-31-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• CAS: 217790-31-3
• 化学式: Ag*C₂H₃N*C₃HBN₃
• 分子量: 238.793
• InChiKey: UCXKWEFFFMNDIR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.28
• 重原子数：
  11.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  75.73
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  sodiumsulfide nonahydrate 、 以 水 为溶剂， 以98%的产率得到sodium;dicyano(isocyano)boranuide
  参考文献：
  名称：

  Synthesis and characterization of cyanohydroisocyanoborates. Reactivity of the isocyano group towards nucleophiles

  摘要：

  AgCNBH2CN and AgCNBH(CN)(2) were synthesized with AgCN in Me2S from Me2S . BH2CN and 4-cyanopyridine . BH(CN)(2), respectively. These silver complexes were transformed Into Na[BH2(CN)NC] and Na[BH(CN)(2)NC] salts. In these hydrolytically very stable borates the isocyano group proved to be the most reactive site. This observation was demonstrated by reactions with nucleophiles, namely H2S, NH4N3 and NH4SCN. In the first two cases isocyano group underwent transformation into -N(H)-C(H)=S and -1-(5H)tetrazolyl groups, respectively, which remarkably increase the stability of hydroborates towards acidic hydrolysis. Unlike alkyl- or arylisocyanides, isocyano groups here do not form ring in reaction with NH4CN, but most probably transform into -N = C(H)- NCS groups. All compounds, including the E- and Z-isomers (where appropriate), were characterized by IR, H-1, B-11 and C-13 NMR spectroscopy. (C) 1998 Elsevier Science Ltd. Ail rights reserved.

  DOI：

  10.1016/s0277-5387(98)00087-4
• 作为产物：
  描述：

  silver cyanide 、 4-cyanopyridine-dicyanoborane 在 乙腈 作用下， 以 further solvent(s) 为溶剂， 以74%的产率得到
  参考文献：
  名称：

  Synthesis and characterization of cyanohydroisocyanoborates. Reactivity of the isocyano group towards nucleophiles

  摘要：

  AgCNBH2CN and AgCNBH(CN)(2) were synthesized with AgCN in Me2S from Me2S . BH2CN and 4-cyanopyridine . BH(CN)(2), respectively. These silver complexes were transformed Into Na[BH2(CN)NC] and Na[BH(CN)(2)NC] salts. In these hydrolytically very stable borates the isocyano group proved to be the most reactive site. This observation was demonstrated by reactions with nucleophiles, namely H2S, NH4N3 and NH4SCN. In the first two cases isocyano group underwent transformation into -N(H)-C(H)=S and -1-(5H)tetrazolyl groups, respectively, which remarkably increase the stability of hydroborates towards acidic hydrolysis. Unlike alkyl- or arylisocyanides, isocyano groups here do not form ring in reaction with NH4CN, but most probably transform into -N = C(H)- NCS groups. All compounds, including the E- and Z-isomers (where appropriate), were characterized by IR, H-1, B-11 and C-13 NMR spectroscopy. (C) 1998 Elsevier Science Ltd. Ail rights reserved.

  DOI：

  10.1016/s0277-5387(98)00087-4