1-methyl-1-aza-closo-dodecaborane(12) | 142581-19-9

• 英文名称: 1-methyl-1-aza-closo-dodecaborane(12)
• 英文别名: 1-methyl-1-aza-closo-dodecaborane；1-methylaza-closo-dodecaborane
• CAS: 142581-19-9
• 化学式: CH₁₄B₁₁N
• 分子量: 159.05
• InChiKey: GHAXZAOEEPLSTC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：
  None

反应信息

• 作为反应物：
  描述：

  1-methyl-1-aza-closo-dodecaborane(12) 、 双(三苯基正膦基)氯化铵 以 二氯甲烷 为溶剂， 以97%的产率得到bis(triphenylphosphoranylidene)ammonium 2-chloro-8,9-μ-hydro-decahydro-1-methyl-1-aza-nido-dodecaborate
  参考文献：
  名称：

  Lomme, Petra; Meyer, Franc; Englert, Ulli, Chemische Berichte, 1995, vol. 128, # 12, p. 1225 - 1230

  摘要：

  DOI：
• 作为产物：
  描述：

  triethylammonium 1-aza-closo dodecaboranate 、 三氟甲烷磺酸甲酯 以 二氯甲烷 为溶剂， 以42%的产率得到1-methyl-1-aza-closo-dodecaborane(12)
  参考文献：
  名称：

  Meyer, Franc; Mueller, Jens; Paetzold, Peter, Angewandte Chemie, 1992, vol. 104, p. 1221 - 1222

  摘要：

  DOI：

文献信息

• Aza-nido-dodecaboranes and -borates from Aza-closo-dodecaboranes by the Addition of Neutral or Anionic Bases: Mechanism
  作者：Peter Paetzold、Petra Lomme、Ulli Englert

  DOI：10.1002/1521-3749(200203)628:3<632::aid-zaac632>3.0.co;2-8

  日期：2002.3

  amine-H atom has been made plausible. Aza-nido-dodecaborane und -borate aus Aza-closo-dodecaboranen durch die Addition neutraler und anionischer Basen: Mechanismus Die Addition neutraler (L = py, NEt3, NHEt3, NH2tBu) und anionischer Lewis-Basen (X- = Br-, N3-, Me-, NHBu-, NHtBu-, [FeCp(CO)2]-) an Aza-closo-dodecaborane RNB11H11 (1) oder an deren Derivate mit Bor-gebundenen Nichtwasserstoff- Liganden ergibt

  添加中性 (L = py, NEt3, NHEt2, NH2tBu) 和阴离子路易斯碱 (X- = OH-, Br-, N3-, Me-, NHBu -, NHtBu-, [FeCp (CO) 2] -)氮杂-闭合-十二碳硼烷 RNB11H11 (1) 或其衍生物与硼结合的非氢配体产生 nido 簇 RNB11H11L 或 [RNB11H11X] - 或它们的衍生物，分别为非平面五边形孔 N — B4 — B9 — B8 - 其中 B5 承载 B8 - B9 氢桥。碱基与 B8 (3) 或 B4 (5) 或 B2 (7) 结合。这些加合物的结构是从 1H 和 11B NMR 得出的，包括 2D-NMR 谱，在 MeNB11H11 (NHEt2)（3 型）的情况下，也是通过晶体结构分析得出的。两种加合物 MeNB11H11L (L = py, NHEt2)，3、5 和 7 型异构体，以及两种加合物
• Electrophilic Substitution at the NB ₉ and NB ₁₁ <i>closo</i> ‐Skeletons
  作者：Petra Lomme、Martin Roth、Ulli Englert、Peter Paetzold

  DOI：10.1002/cber.19961291014

  日期：1996.10

  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.
• Haloaza-closo-dodecaboranes
  作者：H. Yao、P. Lomme、C. Hu、P. Paetzold

  DOI：10.1002/1521-3749(200111)627:11<2477::aid-zaac2477>3.0.co;2-e

  日期：2001.11

  The bromo- and iodoaza-closo-dodecaboranes HNB(11)H(10)Hal (Hal = Br, I). MeNB11H9Br2, and McNB(11)H(8)Br(3) are formed from [NB11H11](-) and MeNB11H11, respectively, by electrophilic halogenation with elementary halogen in the presence of acidic catalysts. Hydrogen in para- or in para- and meta-position with respect to the cluster-N atom is substituted by halogen. With iodine chloride as halogenation agent, all the 11 boron bound H atoms of MeNB11H11 are substituted to give HNB11Cl5I6, with iodine in the para- and meta- and chlorine in the ortho-positions, presumably via electrophilic (I) and nucleophilic substitution (Cl). The products are characterized by their NMR spectra, the product HNB11Cl5I6 also by crystal structure analysis.