1,7,8,9,10,11,12-heptamethyl-1-aza-closo-dodecaborane | 183063-35-6

• 英文名称: 1,7,8,9,10,11,12-heptamethyl-1-aza-closo-dodecaborane
• CAS: 183063-35-6
• 化学式: C₇H₂₆B₁₁N
• 分子量: 243.211
• InChiKey: DGYPGMRLOYPBGE-UHFFFAOYSA-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：

  1-methyl-1-aza-closo-dodecaborane(12) 、 三氟甲烷磺酸甲酯 在 CF₃SO₃H 作用下， 以 neat (no solvent) 为溶剂， 以48%的产率得到1,7,8,9,10,11,12-heptamethyl-1-aza-closo-dodecaborane
  参考文献：
  名称：

  Electrophilic Substitution at the NB ₉ and NB ₁₁ closo ‐Skeletons

  摘要：

  AbstractThe aza‐closo‐boranes ArNB9H9 (1, Ar = p‐ClC6H4) and MeNB11H11 (2) were brominated, iodinated, or methylated under Friedel‐Crafts conditions to give ArNB9H4Br5 (3), ArNB9H7I2 (4), ArNB9H4Me5 (7), MeNB11H10Br (5), MeNB11H10I (6), and MeNB11H5Me6 (9), respectively. The upper boron belt adjacent to nitrogen is not involved in the substitution reactions with 1 and 2. The antipodal position and the lower belt are attacked by electrophiles in the case of 1; the antipodal position is the preferred one in the case of 2. By prolongated action of triflic acid on the methylated species 7 and 9, one methyl group is replaced by the triflate group to give ArNB9H4Me4(OTrf) (8) and MeNB11H5Me5‐(OTrf) (10) with this group in the positions 6 and 12, respectively. The NMR data indicate the cluster symmetries Cs (4, 8), C4v (3, 7), and C5v (5, 6, 9, 10). Crystal structure investigations of 5 (space group Cc) and 10 (space group C2/c) showed that the molecular dimensions of the NB11 skeleton are comparable to those of closo, ‐(PhCH2)NB11H11.

  DOI：

  10.1002/cber.19961291014