| 871126-63-5

• CAS: 871126-63-5
• 化学式: C₁₈H₂₆B₁₀N₂O₄
• 分子量: 442.525
• InChiKey: SNKVJMIPEGXVCM-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：

  、 四乙基氟化铵水合物 以 四氢呋喃 为溶剂， 以98%的产率得到
  参考文献：
  名称：

  Synthesis of Ortho- and Meta-Re(I)-Metallocarboranes in Water

  摘要：

  A series of metallocarboranes of the types rac[M(CO)(3)(n(5)-7-R-7,8-C2B9H11)](-)and rac-[M(CO)(3)(n(5)-7-R-8-R'-7,8-C2B9H11)](-), and rac-[M(CO)(3)(n(5)-7-R-7,9-C2B9H11)](-) (M = Re) were prepared by reacting [NEt4](2)[Re(CO)(3)Br-3] or [Re(CO)(3-)(OH2)(3)]Br with the corresponding carboranes in the presence of aqueous solutions of either alkali metal or tetraalkylammonium fluoride salts. Carborane derivatives that were investigated included those containing pyridine, amino, carboxylic acid, carbohydrate, and aryl substituents, During the course of the research, it was discovered that Re metallocarboranes can be prepared directly from the respective closo-clusters under similar reaction conditions used with nido-carboranes. Reaction yields ranged from modest to excellent depending on the carborane isomer and the nature of the cage substituent(s). A crystal structure of an amine-substituted Re metal locarborane was obtained where the complex crystallized in the orthorhombic space group P2(1)2(1)2(1) with a = 8.982(2) angstrom, b 11.563(3) angstrom, c = 16.811(4) angstrom, (alpha = beta = gamma = 90 degrees, V = 1746.1(7) angstrom(3), Z = 4, and R1 = 0.0684.

  DOI：

  10.1021/ic0511221
• 作为产物：
  描述：

  1,7-dicarba-closo-dodecaborane(12) 、 偶氮二甲酸二苄酯 在 n-butyllithium 作用下， 以 乙醚 、 正己烷 为溶剂， 以59%的产率得到
  参考文献：
  名称：

  Synthesis of Ortho- and Meta-Re(I)-Metallocarboranes in Water

  摘要：

  A series of metallocarboranes of the types rac[M(CO)(3)(n(5)-7-R-7,8-C2B9H11)](-)and rac-[M(CO)(3)(n(5)-7-R-8-R'-7,8-C2B9H11)](-), and rac-[M(CO)(3)(n(5)-7-R-7,9-C2B9H11)](-) (M = Re) were prepared by reacting [NEt4](2)[Re(CO)(3)Br-3] or [Re(CO)(3-)(OH2)(3)]Br with the corresponding carboranes in the presence of aqueous solutions of either alkali metal or tetraalkylammonium fluoride salts. Carborane derivatives that were investigated included those containing pyridine, amino, carboxylic acid, carbohydrate, and aryl substituents, During the course of the research, it was discovered that Re metallocarboranes can be prepared directly from the respective closo-clusters under similar reaction conditions used with nido-carboranes. Reaction yields ranged from modest to excellent depending on the carborane isomer and the nature of the cage substituent(s). A crystal structure of an amine-substituted Re metal locarborane was obtained where the complex crystallized in the orthorhombic space group P2(1)2(1)2(1) with a = 8.982(2) angstrom, b 11.563(3) angstrom, c = 16.811(4) angstrom, (alpha = beta = gamma = 90 degrees, V = 1746.1(7) angstrom(3), Z = 4, and R1 = 0.0684.

  DOI：

  10.1021/ic0511221