| 92763-08-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 92763-08-1
• 化学式: C₁₆H₂₂Cl₄P₂Ta
• 分子量: 599.058
• InChiKey: RSPWDHAPSVHPDZ-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  6.86
• 重原子数：
  23.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  三甲基膦 、 以 二氯甲烷 为溶剂， 以42%的产率得到
  参考文献：
  名称：

  Cotton, F. Albert; Duraj, Stan A.; Roth, Wieslaw J., Inorganic Chemistry, 1984, vol. 23, # 24, p. 4046 - 4050

  摘要：

  DOI：
• 作为产物：
  描述：

  五氯化钽 、 二甲基苯基磷 在 Mg 、 Hg 作用下， 以 二氯甲烷 为溶剂， 以75%的产率得到
  参考文献：
  名称：

  Cotton, F. Albert; Duraj, Stan A.; Roth, Wieslaw J., Inorganic Chemistry, 1984, vol. 23, # 24, p. 4046 - 4050

  摘要：

  DOI：

文献信息

• Reactions of unisolable homoleptic aryls of niobium and tantalum with PMe₂Ph and Bu^tNC. Crystal structures of M(2,5-Me₂C₆H₃)₂(η²-2,5-Me₂C₆H₂)(PMe₂Ph)₂, M = Nb or Ta, and Ta(η²-PhCNBu^t)(η²-Ph₂CNBu^t)₂(CNBu^t)
  作者：Stefan U. Koschmieder、Bilquis Hussain-Bates、Michael B. Hursthouse、Geoffrey Wilkinson

  DOI：10.1039/dt9910002785

  日期：——

  The tetraaryls, MR4, M = Nb or Ta, R = 2-MeC6H4 or 2,5-Me2C6H3, made in situ by interaction of MCl4 and LiR or MgRBr react with PMe2Ph to give the eta-2-aryne compounds MR2(eta-2-aryne) (PMe2Ph)2. From the reaction of TaCl5 and LiPh in Et2O in the presence of PMe3 the similar tantalum(IV) benzyne, TaPh2(eta-2-C6H4) (PMe3)2, is obtained. Interaction of a green solution probably of TaPh5 with Bu(t)NC produces the tantalum(V) compound, Ta(PhCNBu(t)) (Ph2CNBu(t))2(CNBu(t)), via multiple insertion reactions of Bu(t)NC into the Ta-C bonds. The X-ray structures of M(2,5-Me2C6H3)2(eta-2-2,5-Me2C6H2) (PMe2Ph)2 (M = Nb or Ta) and Ta(eta-2-PhCNBu(t)) (eta-2-Ph2CNBu(t)) (CNBu(t)) have been determined. The isostructural arynes can be regarded as having a square-pyramidal structure with the C-C aryne bond occupying the axial site. The tantalum(V) compound contains one eta-2-iminoacyl and two eta-2-imine ligands.
• Cotton, F. Albert; Duraj, Stan A.; Roth, Wieslaw J., Acta Crystallographica, Section C: Crystal Structure Communications, 1985, vol. 41, p. 881 - 883
  作者：Cotton, F. Albert、Duraj, Stan A.、Roth, Wieslaw J.

  DOI：——

  日期：——