1-(MeC4H2S)-closo-1,2-C2B10H11 | 189396-97-2

• 英文名称: 1-(MeC4H2S)-closo-1,2-C2B10H11
• CAS: 189396-97-2
• 化学式: C₇H₁₆B₁₀S
• 分子量: 240.38
• InChiKey: SIXMWNIQCQUUQO-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：

  1-(MeC4H2S)-closo-1,2-C2B10H11 、 三甲胺盐酸盐 在 KOH 、 CO₂ 作用下， 以 甲醇 为溶剂， 以64%的产率得到[7-(MeC4H2S)-nido-7,8-C2B9H11][Me3NH]
  参考文献：
  名称：

  Icosahedral palladium metallocarboranes with thiophene substituents: Unexpected cage substitution products from the reaction of Pd(PMe2Ph)2Cl2 with Tl2[7-(RC4H2S)-7,8-nido-C2B9H10](R = Me or H)

  摘要：

  Pd(PMe(2)Ph)(2)Cl-2 with Tl-2[7-(C(4)H(2)RS)-7,8-nido-C2B9H10] (R = H or Me) gives 1-C(4)H(2)RS-3,3-(PMe(2)Ph)(2)-3,1,2-Pd-C2B9H10 as the major and [1-C(4)H(2)RS-3,3-(PMe(2)Ph)(2)-8-(PMe(2)Ph)-3,1,2-Pd-C2B9H9][C(2)H(9)RS-C2B9H12] as the minor product. The crystal structures of the major (R = Me) and minor products (R = H) show that both have icosahedral metallocarborane cages, but that the latter has one of the hydrogen atoms on the pentagonal face of the ligand adjacent to the metal replaced by PMe(2)Ph.

  DOI：

  10.1016/s0022-328x(96)06530-8
• 作为产物：
  描述：

  2-乙炔基-5-甲基噻吩 、 decaborane(14) 以 甲苯 、 乙腈 为溶剂， 以34%的产率得到1-(MeC4H2S)-closo-1,2-C2B10H11
  参考文献：
  名称：

  Icosahedral palladium metallocarboranes with thiophene substituents: Unexpected cage substitution products from the reaction of Pd(PMe2Ph)2Cl2 with Tl2[7-(RC4H2S)-7,8-nido-C2B9H10](R = Me or H)

  摘要：

  Pd(PMe(2)Ph)(2)Cl-2 with Tl-2[7-(C(4)H(2)RS)-7,8-nido-C2B9H10] (R = H or Me) gives 1-C(4)H(2)RS-3,3-(PMe(2)Ph)(2)-3,1,2-Pd-C2B9H10 as the major and [1-C(4)H(2)RS-3,3-(PMe(2)Ph)(2)-8-(PMe(2)Ph)-3,1,2-Pd-C2B9H9][C(2)H(9)RS-C2B9H12] as the minor product. The crystal structures of the major (R = Me) and minor products (R = H) show that both have icosahedral metallocarborane cages, but that the latter has one of the hydrogen atoms on the pentagonal face of the ligand adjacent to the metal replaced by PMe(2)Ph.

  DOI：

  10.1016/s0022-328x(96)06530-8