1,2-(CH2)6-1,2-C2B10H10 | 872114-87-9

• 英文名称: 1,2-(CH2)6-1,2-C2B10H10
• CAS: 872114-87-9
• 化学式: C₈H₂₂B₁₀
• 分子量: 226.373
• InChiKey: NCPHWGDXIRZRRQ-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：

  四氢呋喃 、 1,2-(CH2)6-1,2-C2B10H10 、 sodium 以 四氢呋喃 为溶剂， 以80%的产率得到[(1,4-(CH2)6-1,4-C2B10H10)(Na2(THF)4)](n)
  参考文献：
  名称：

  Reduction of 1,2-(CH₂)_n-1,2-C₂B₁₀H₁₀ by Group 1 Metals. Effects of Bridge Length/Rigidity on the Formation of Carborane Anions

  摘要：

  The effects of bridge length and rigidity on the formation of C,C'-Iinked carborane anions were studied. Reaction of 1,2-(CH2)(3)-1,2-C2B10H10 (1), 1,2-(CH2CH=CHCH2)-1,2-C2B10H10 (2), or 1,2-(CH2)(4)-1,2-C2B10H10 (3) with excess Li metal in THF gave "carbon-atoms-adjacent" (CAd) arachno-carborane salt [{1,2-(CH2)(3)-1,2-C2B10H10}{Li-4(THF)(5)}] (6), [{1,2-(CH2CH= CHCH2)-1,2-C2B10H10}{Li-4(THF)(5)}](2) (7), or [{1,2-(CH2)(4)-1,2-C2B10H2O}{Li-4(THF)(5)}](2) (8), respectively. On the other hand, reduction of 1,2-(CH2)(5)-1,2-C2B10H10 (4) or 1,2-(CH2)6-1,2C(2)B(10)H(10) (5) with excess Li metal followed by cation exchange of NaI, or directly with excess Na metal, afforded "carbon-atoms-apart" (CAp) nido-carborane salt [{1,3-(CH2)(5)-1,3-C2B10H10}- {Na-2(THF)(4)}](n) (9) or [{1,4-(CH2)6-1,4-C2B10H10}{Na-2(THF)(4})](n) (10). All complexes were fully characterized by various spectroscopic techniques and elemental analyses as well as single-crystal X-ray diffraction studies. The results showed that although both the bridge length and rigidity of C,C'-linked o-carboranes have significant effects on the formation of carborane anions, the former plays a more important role than the latter in controlling the relative positions of the two cage carbon atoms during the reductive process.

  DOI：

  10.1021/om050683x
• 作为产物：
  描述：

  1,6-二溴己烷 、 1,2-dicarba-closo-dodecaborane(12) 在 n-butyllithium 作用下， 以 乙醚 、 甲苯 为溶剂， 以17%的产率得到1,2-(CH2)6-1,2-C2B10H10
  参考文献：
  名称：

  Reduction of 1,2-(CH₂)_n-1,2-C₂B₁₀H₁₀ by Group 1 Metals. Effects of Bridge Length/Rigidity on the Formation of Carborane Anions

  摘要：

  The effects of bridge length and rigidity on the formation of C,C'-Iinked carborane anions were studied. Reaction of 1,2-(CH2)(3)-1,2-C2B10H10 (1), 1,2-(CH2CH=CHCH2)-1,2-C2B10H10 (2), or 1,2-(CH2)(4)-1,2-C2B10H10 (3) with excess Li metal in THF gave "carbon-atoms-adjacent" (CAd) arachno-carborane salt [{1,2-(CH2)(3)-1,2-C2B10H10}{Li-4(THF)(5)}] (6), [{1,2-(CH2CH= CHCH2)-1,2-C2B10H10}{Li-4(THF)(5)}](2) (7), or [{1,2-(CH2)(4)-1,2-C2B10H2O}{Li-4(THF)(5)}](2) (8), respectively. On the other hand, reduction of 1,2-(CH2)(5)-1,2-C2B10H10 (4) or 1,2-(CH2)6-1,2C(2)B(10)H(10) (5) with excess Li metal followed by cation exchange of NaI, or directly with excess Na metal, afforded "carbon-atoms-apart" (CAp) nido-carborane salt [{1,3-(CH2)(5)-1,3-C2B10H10}- {Na-2(THF)(4)}](n) (9) or [{1,4-(CH2)6-1,4-C2B10H10}{Na-2(THF)(4})](n) (10). All complexes were fully characterized by various spectroscopic techniques and elemental analyses as well as single-crystal X-ray diffraction studies. The results showed that although both the bridge length and rigidity of C,C'-linked o-carboranes have significant effects on the formation of carborane anions, the former plays a more important role than the latter in controlling the relative positions of the two cage carbon atoms during the reductive process.

  DOI：

  10.1021/om050683x