| 143104-36-3

• CAS: 143104-36-3
• 化学式: C₂H₁₁B₉Cl₃Ta
• 分子量: 419.715
• InChiKey: AFXBMYORWYKRMK-UHFFFAOYSA-K

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：

  、 甲基溴化镁 以 甲苯 为溶剂， 以89%的产率得到(η⁵-C2B9H11)TaMe3
  参考文献：
  名称：

  钽（V）二咔啉配合物的合成与表征

  摘要：

  Reaction of TaCl5 with Li2C2B9H11 in toluene yields (C2B9H11)TaCl3 (1). Molecular weight measurements for 1 indicate a monomeric structure in benzene solution. X-ray diffraction reveals a distorted-octahedral/three-legged piano-stool structure for 1. Data for 1: a = 6.84 (1) angstrom, b = 9.614 (2) angstrom, c = 19.073 (3) angstrom, beta = 92.37 (3)-degrees, V = 1252 (2) angstrom3, Z = 4 in space group P2(1)/c. Reaction of 1 with TlCp' (Cp' = C6H4Me) in CH2Cl2 yields the bent metallocene CP'(C2B9H11)TaCl2 (2). X-ray diffraction reveals a distorted-tetrahedral structure for 2, isostructural with group 4 metallocenes. Data for 2: a 9.519 (4) angstrom, b = 12.752 (6) angstrom, c = 7.016 (2) angstrom, alpha = 97.16 (3)-degrees, beta = 109.76 (3)-degrees, gamma = 94.15 (4)-degrees, V = 789 (1) angstrom3, Z = 2 in space group P1BAR. Reaction of CpTaCl4 with Li2C2B9H11 yields CP(C2B9H11)TaCl2 (3, Cp = C5H5. Alkylation of 1 with MeMgBr Yields (C2B9H11)TaMe3 (4). Alkylation of 2 with MeMgBr yields CP'(C2B9H11)TaMe2 (5).

  DOI：

  10.1021/om00045a026
• 作为产物：
  描述：

  Li2{nido-7,8-C2B9H11} 、 五氯化钽 以 甲苯 为溶剂， 以37%的产率得到
  参考文献：
  名称：

  钽（V）二咔啉配合物的合成与表征

  摘要：

  Reaction of TaCl5 with Li2C2B9H11 in toluene yields (C2B9H11)TaCl3 (1). Molecular weight measurements for 1 indicate a monomeric structure in benzene solution. X-ray diffraction reveals a distorted-octahedral/three-legged piano-stool structure for 1. Data for 1: a = 6.84 (1) angstrom, b = 9.614 (2) angstrom, c = 19.073 (3) angstrom, beta = 92.37 (3)-degrees, V = 1252 (2) angstrom3, Z = 4 in space group P2(1)/c. Reaction of 1 with TlCp' (Cp' = C6H4Me) in CH2Cl2 yields the bent metallocene CP'(C2B9H11)TaCl2 (2). X-ray diffraction reveals a distorted-tetrahedral structure for 2, isostructural with group 4 metallocenes. Data for 2: a 9.519 (4) angstrom, b = 12.752 (6) angstrom, c = 7.016 (2) angstrom, alpha = 97.16 (3)-degrees, beta = 109.76 (3)-degrees, gamma = 94.15 (4)-degrees, V = 789 (1) angstrom3, Z = 2 in space group P1BAR. Reaction of CpTaCl4 with Li2C2B9H11 yields CP(C2B9H11)TaCl2 (3, Cp = C5H5. Alkylation of 1 with MeMgBr Yields (C2B9H11)TaMe3 (4). Alkylation of 2 with MeMgBr yields CP'(C2B9H11)TaMe2 (5).

  DOI：

  10.1021/om00045a026

文献信息

• Tantalum-Mediated Oxidative Coupling of C₂B₉H₁₁²^- Ligands. Synthesis and Characterization of {(μ-H)(C₂B₉H₁₀)₂}TaCl₂
  作者：Yue-Xin Su、Cathrine E. Reck、Ilia A. Guzei、Richard F. Jordan

  DOI：10.1021/om000566w

  日期：2000.11.1

  The reaction of TaCl5 with 2 equiv of Li-2[C2B9H11] in refluxing toluene yields (mu -H)-(C2B9H10)(2)}TaCl2 (1), which contains the unusual linked bis(carboranyl) ligand [(mu -H)-(C2B9H10)(2)](3-), which is formed by formal oxidative coupling of two C2B9H112- ligands. Alkylation of 1 with ZnMe2 yields (mu -H)(C2B9H10)(2)}TaMeCl (2), which retains the linked bis(carboranyl) ligand.
• Uhrhammer, Roger; Su, Yue-Xin; Swenson, Dale C., Inorganic Chemistry, 1994, vol. 33, # 19, p. 4398 - 4402
  作者：Uhrhammer, Roger、Su, Yue-Xin、Swenson, Dale C.、Jordan, Richard F.

  DOI：——

  日期：——