| 871126-60-2

• CAS: 871126-60-2
• 化学式: C₆H₁₈B₁₀O₂
• 分子量: 230.318
• InChiKey: KITHXJVCSSTUBD-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：

  、 potassium hydroxide 在 二氧化碳 作用下， 以 乙醇 、 水 为溶剂， 以50%的产率得到
  参考文献：
  名称：

  Aqueous Fluoride and the Preparation of [^99mTc(CO)₃(OH₂)₃]⁺ and ^99mTc−Carborane Complexes

  摘要：

  A method for the preparation of eta(5)-metallocarborane complexes of technetium-99m in water was developed. The key to the procedure is the use of aqueous sodium or potassium fluoride, which prevents premature degradation of the Tc(I) starting material used to prepare the carborane complexes. Solid-phase extraction was used to purify Tc-metallocarboranes derived from both ortho and meta isomers, which were isolated in good to excellent yields in high radiochemical purities. In conjunction with these studies, a series of fluoride-based "kits" were developed to produce the key precursor [Tc-99m(CO)(3)(H2O)(3)](+) in the absence of any other stabilizing ligand. Using this approach, [Tc-99m(CO)(3)(H2O)(3)](+) could be prepared directly from (TcO4-)-Tc-99m under a range of pH values, including neutral pH, which affords the opportunity to develop one-pot labeling procedures for base-sensitive targeting vectors.

  DOI：

  10.1021/ic051123t
• 作为产物：
  描述：

  1,7-dicarba-closo-dodecaborane(12) 、 3-溴丙酸甲酯 在 n-butyllithium 作用下， 以 正己烷 、 二氯甲烷 为溶剂， 以46%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