6-NC(CH2)4-nido-5,6,9-C3B7H10 | 713543-69-2

• 英文名称: 6-NC(CH2)4-nido-5,6,9-C3B7H10
• CAS: 713543-69-2
• 化学式: C₈H₁₈B₇N
• 分子量: 203.915
• InChiKey: PKUYBHLNHYRHAC-ZETCQYMHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  盐酸 、 、 己二腈 、 lithium hydride 以 乙二醇二甲醚 为溶剂， 以31%的产率得到6-NC(CH2)4-nido-5,6,9-C3B7H10
  参考文献：
  名称：

  Syntheses of Functionalized Ferratricarbadecaboranyl Complexes

  摘要：

  The reactions of nitriles (RCN) with arachno-4,6-C2B7H12- provide a general route to functionalized tricarbaclecaboranyl anions, 6-R-nido-5,6,9-C3B7H9-, R = C6H5 (2-), NC(CH2)(4) (4-), (p-BrC6H4)(Me3SiO)CH (6-), C14H11 (8-), and H3BNMe2(CH2)(2) (10-). Further reaction of these anions with (eta(5)-C5H5)Fe(CO)(2)I yields the functionalized ferratricarbadecaboranyl complexes 1-(eta(5)-C5H5)-2-C6H5-closo-1,2,314-FeC3B7H9 (3), 1-(eta(5)-C5H5)-2-NC(CH2)(4)-closo-1,2,3,4-FeC3B7H9 (5), 1 -(eta(5) -C5H5)-2-[(p-BrC6H4)(Me3SiO)CH]-closo-1,2,3,4-FeC3B7H9 (7), 1-(eta(5)-C5H5)-2-C14H11-closo-1,2,3,4-FeC3B7H9 (9), and 1-(eta(5)-C5H5)-2-H3BNMe2(CH2)(2)-closo-1,2,3,4-FeC3B7H9 (11). Reaction of 11 with DABCO (triethylenediamine) resulted in removal of the BH3 group coordinated to the nitrogen of the side chain, giving 1-(eta(5) -C5H5)-2-NMe2(CH2)(2)-closo-1,2,3,4-FeC3B7H9 (12). Crystallographic studies of complexes 3, 5, 7, 9, and 11 confirmed that these complexes are ferrocene analogues in which a formal Fe2+ ion is sandwiched between the cyclopentadienyl and tricarbaclecaboranyl monoanionic ligands. The metals are eta(6)-coordinated to the puckered six-membered face of the tricarbadecaboranyl cage, with the exopolyhedral substituents bonded to the low-coordinate carbon adjacent to the iron.

  DOI：

  10.1021/ic049827a