(borohydrido)(1,4,7,10,13,16-hexaoxa-2,3:11,12-dibenzocyclooctadeca-2,11-diene-κ(6)O)(tetrahydrofuran)potassium | 927437-38-5

• 英文名称: (borohydrido)(1,4,7,10,13,16-hexaoxa-2,3:11,12-dibenzocyclooctadeca-2,11-diene-κ(6)O)(tetrahydrofuran)potassium
• CAS: 927437-38-5
• 化学式: C₂₄H₃₆BKO₇
• 分子量: 486.455
• InChiKey: WFSCKJVPKBVNNJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  33.0
• 可旋转键数：
  0.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  64.61
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  四氢呋喃 、 二苯并-18-冠醚-6 、 钾硼氢 以 四氢呋喃 为溶剂， 以99%的产率得到(borohydrido)(1,4,7,10,13,16-hexaoxa-2,3:11,12-dibenzocyclooctadeca-2,11-diene-κ(6)O)(tetrahydrofuran)potassium
  参考文献：
  名称：

  (Borohydrido)(18-crown-6)potassium and (borohydrido)(dibenzo-18-crown-6)(tetrahydrofuran)potassium

  摘要：

  In the two compounds (borohydrido)(1,4,7,10,13,16- hexaoxacyclooctadecane-kappa O-6)potassium, [K(BH4)(C12H24O6)], (I), and (borohydrido)(1,4,7,10,13,16-hexaoxa-2,3:11,12-dibenzocyclooctadeca-2,11-diene-kappa O-6)(tetrahydrofuran)potassium, [K(BH4)(C4H8O)(C20H24O6)], (II), the K atom is bound to the six O atoms of the crown ether and to a tridentate borohydride group, with further coordination to a tetrahydrofuran molecule in (II). The alkali metal ion environment is thus distorted hexagonal-pyramidal in (I) and bipyramidal in (II).

  DOI：

  10.1107/s0108270106016507